3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine

C231H295Cl7F2N16O5S4 — CID 162268277

IUPAC3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine
SMILESC#Cc1cccc(C(C)C)c1.CC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc(Cl)ccn1.CC(C)c1cc2cccnc2s1.CC(C)c1cc[nH]c1C1CCCCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn2ccsc2n1.CC(C)c1cnnc2ccccc12.CC(C)c1scc2c1OCCO2.COc1ccsc1C(C)C.Cc1c(F)ccc(C(C)C)c1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccnc1C(C)C.Cc1ncoc1C(C)C
InChIInChI=1S/C15H16.C14H15N.C13H21N.C13H14.C11H14N2.C11H12N2.C11H12.C10H12ClF.3C10H13Cl.C10H11NS.C10H14O.C9H11Cl.C9H14N2.C9H13N.C9H12O2S.C8H9ClFN.C8H10ClN.C8H10N2S.C8H13N.C8H12OS.C7H11NO/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)10-7-12-13-11-6-4-3-5-9(10)11;1-4-10-6-5-7-11(8-10)9(2)3;1-6(2)8-4-5-9(12)7(3)10(8)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)9-8(3)5-4-6-10-9;1-6(2)9-8-7(5-12-9)10-3-4-11-8;1-5(2)6-3-4-11-8(9)7(6)10;1-6(2)8-5-7(9)3-4-10-8;1-6(2)7-5-10-3-4-11-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(9-3)4-5-10-8;1-5(2)7-6(3)8-4-9-7/h3-12H,1-2H3;3-11H,1-2H3;8-11,14H,3-7H2,1-2H3;3-10H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;1,5-9H,2-3H3;4-6H,1-3H3;3*4-7H,1-3H3;3-7H,1-2H3;4-7,11H,1-3H3;3-7H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);4-7H,1-3H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyLOJUZMPMATXGEO-UHFFFAOYSA-N
MW3790.44 g/mol
LogP73.05
Rot. Bonds28

About 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine

3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 162268277) has the molecular formula C231H295Cl7F2N16O5S4 and a molecular weight of 3790.44 g/mol. Its IUPAC name is 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID162268277
Molecular FormulaC231H295Cl7F2N16O5S4
Molecular Weight3790.44 g/mol
Exact Mass3784.00
IUPAC Name3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine
SMILESC#Cc1cccc(C(C)C)c1.CC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc(Cl)ccn1.CC(C)c1cc2cccnc2s1.CC(C)c1cc[nH]c1C1CCCCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn2ccsc2n1.CC(C)c1cnnc2ccccc12.CC(C)c1scc2c1OCCO2.COc1ccsc1C(C)C.Cc1c(F)ccc(C(C)C)c1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccnc1C(C)C.Cc1ncoc1C(C)C
InChIInChI=1S/C15H16.C14H15N.C13H21N.C13H14.C11H14N2.C11H12N2.C11H12.C10H12ClF.3C10H13Cl.C10H11NS.C10H14O.C9H11Cl.C9H14N2.C9H13N.C9H12O2S.C8H9ClFN.C8H10ClN.C8H10N2S.C8H13N.C8H12OS.C7H11NO/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)10-7-12-13-11-6-4-3-5-9(10)11;1-4-10-6-5-7-11(8-10)9(2)3;1-6(2)8-4-5-9(12)7(3)10(8)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)9-8(3)5-4-6-10-9;1-6(2)9-8-7(5-12-9)10-3-4-11-8;1-5(2)6-3-4-11-8(9)7(6)10;1-6(2)8-5-7(9)3-4-10-8;1-6(2)7-5-10-3-4-11-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(9-3)4-5-10-8;1-5(2)7-6(3)8-4-9-7/h3-12H,1-2H3;3-11H,1-2H3;8-11,14H,3-7H2,1-2H3;3-10H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;1,5-9H,2-3H3;4-6H,1-3H3;3*4-7H,1-3H3;3-7H,1-2H3;4-7,11H,1-3H3;3-7H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);4-7H,1-3H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyLOJUZMPMATXGEO-UHFFFAOYSA-N
XLogP73.05
TPSA259.56 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003790.44
LogP ≤ 573.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-1,3-difluoro-2-methylbenzene;4-chloro-1,2-dimethylbenzene;2-chloro-4-fluoro-1-methylbenzene;1-chloro-4-methylbenzene;1,3-difluoro-5-isocyano-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;3,5-difluoro-2-methylpyridine;2,5-dimethyl-1,3-oxazole;2,5-dimethylpyridine;1-fluoro-2,4-dimethylbenzene;2-fluoro-4-isocyano-1-methylbenzene;1-fluoro-4-methylbenzene;bis(5-fluoro-2-methylpyridine);5-fluoro-2-methylpyrimidine;5-fluoro-4-methylpyrimidine;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;1-methoxy-4-methylbenzene;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-4-phenylpyrimidine;2-methylthiophene;2-methyl-4-(trifluoromethyl)-1,3-thiazole;1,2,4-trifluoro-5-methylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene
CID 157901516
2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-fluoro-3-methyl-6-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
CID 162268271
1-chloro-2-methyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;5-ethynyl-2-propan-2-ylpyridine;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole
CID 162268272
CID 162268766
CID 162268766
CID 162268850
CID 162268850
1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-ethoxy-2-propan-2-ylbenzene;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 162282016
CID 162282061
CID 162282061
2-chloro-3-fluoro-4-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1H-pyridin-2-one;5-cyclohexyl-4-propan-2-yl-1H-pyrazole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,5-difluoro-2-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;3,4-difluoro-5-propan-2-ylphenol;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzotriazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole;4-propan-2-ylcinnoline;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-(4-propan-2-ylphenyl)pyridine;4-propan-2-ylthiadiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthieno[2,3-b]pyridine
CID 162282062
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1-fluoro-3,4-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157446652
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157872815
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 158424167
1-chloro-3,5-difluoro-2-methylbenzene;2-chloro-1,4-difluoro-3-methylbenzene;1-chloro-3-fluoro-2-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2,4-difluoro-1-methylbenzene;5,7-difluoro-6-methylquinoline;5,8-difluoro-6-methylquinoline;1-fluoro-4-methylbenzene;5-fluoro-6-methyl-1H-benzimidazole;5-fluoro-6-methyl-1,3-benzothiazole;5-fluoro-6-methyl-1-benzothiophene;7-fluoro-6-methyl-1-benzothiophene;5-fluoro-6-methyl-1,3-benzoxazole;7-fluoro-6-methyl-1,3-benzoxazole;5-fluoro-6-methyl-1H-indazole;5-fluoro-6-methylquinoline;7-fluoro-6-methylquinoline;8-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1H-indazole;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 159236491

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine (CID 162268277) is 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine is C#Cc1cccc(C(C)C)c1.CC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc(Cl)ccn1.CC(C)c1cc2cccnc2s1.CC(C)c1cc[nH]c1C1CCCCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccnc(Cl)c1F.CC(C)c1cn2ccsc2n1.CC(C)c1cnnc2ccccc12.CC(C)c1scc2c1OCCO2.COc1ccsc1C(C)C.Cc1c(F)ccc(C(C)C)c1Cl.Cc1cc(C(C)C)ccc1Cl.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccnc1C(C)C.Cc1ncoc1C(C)C.
What is the InChIKey of 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is LOJUZMPMATXGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C14H15N.C13H21N.C13H14.C11H14N2.C11H12N2.C11H12.C10H12ClF.3C10H13Cl.C10H11NS.C10H14O.C9H11Cl.C9H14N2.C9H13N.C9H12O2S.C8H9ClFN.C8H10ClN.C8H10N2S.C8H13N.C8H12OS.C7H11NO/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)10-7-12-13-11-6-4-3-5-9(10)11;1-4-10-6-5-7-11(8-10)9(2)3;1-6(2)8-4-5-9(12)7(3)10(8)11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)9-8(3)5-4-6-10-9;1-6(2)9-8-7(5-12-9)10-3-4-11-8;1-5(2)6-3-4-11-8(9)7(6)10;1-6(2)8-5-7(9)3-4-10-8;1-6(2)7-5-10-3-4-11-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(9-3)4-5-10-8;1-5(2)7-6(3)8-4-9-7/h3-12H,1-2H3;3-11H,1-2H3;8-11,14H,3-7H2,1-2H3;3-10H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;1,5-9H,2-3H3;4-6H,1-3H3;3*4-7H,1-3H3;3-7H,1-2H3;4-7,11H,1-3H3;3-7H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);4-7H,1-3H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;4-6,9H,1-3H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 3790.44 g/mol, XLogP of 73.05, 28 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoro-2-methyl-4-propan-2-ylbenzene;2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1-ethynyl-3-propan-2-ylbenzene;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-ylphenol;3-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;4-propan-2-ylcinnoline;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylimidazo[2,1-b][1,3]thiazole;1-propan-2-ylnaphthalene;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 162268277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).