2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine

C214H285Cl2FN34O8S3 — CID 162282048

IUPAC2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(C(N)=O)s1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1cccc(Cl)n1.CC(C)c1ccccc1-c1nn[nH]n1.CC(C)c1ccccc1CC#N.CC(C)c1ccnc(-n2cnnc2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1cn2ccccc2n1.CC(C)c1cncnc1N.CC(C)c1cnco1.CC(C)c1csc2c1CCCC2.CC(C)c1nn(C)c2ccccc12.CCOc1cccc(C(C)C)c1.COc1ccc(C(C)C)cc1Cl.COc1cccc(C(C)C)c1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1O.Cc1nnc2c(C(C)C)cccn12
InChIInChI=1S/C12H14FN.C12H18N2.C11H13N3.C11H14N2.C11H13N.C11H14O2.C11H16O.C11H16S.C10H13ClO.3C10H12N4.C10H13N3.C10H12N2.2C10H14O.C8H10ClN.C8H11NOS.C8H12S.C7H11N3.C7H12N2.C6H9NO/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-9(2)11-6-4-3-5-10(11)7-8-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-8(2)9-3-4-11-10(5-9)14-6-12-13-7-14;1-7(2)8-5-3-4-6-9(8)10-11-13-14-12-10;1-7(2)9-5-4-6-13-8(3)11-12-10(9)13;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)7-4-3-5-8(9)10-7;1-5(2)6-3-4-7(11-6)8(9)10;1-6(2)8-5-4-7(3)9-8;1-5(2)6-3-9-4-10-7(6)8;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-4-8-6/h4-7,14H,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);4-8H,1-3H3;3-6,9H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14);4-7H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;4-7,11H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H2,9,10);4-6H,1-3H3;3-5H,1-2H3,(H2,8,9,10);4-5H,1-3H3,(H,8,9);3-5H,1-2H3
InChIKeyOBGXLYMKXJVYNR-UHFFFAOYSA-N
MW3647.97 g/mol
LogP56.58
Rot. Bonds33

About 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine

2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 162282048) has the molecular formula C214H285Cl2FN34O8S3 and a molecular weight of 3647.97 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID162282048
Molecular FormulaC214H285Cl2FN34O8S3
Molecular Weight3647.97 g/mol
Exact Mass3644.15
IUPAC Name2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(C(N)=O)s1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1cccc(Cl)n1.CC(C)c1ccccc1-c1nn[nH]n1.CC(C)c1ccccc1CC#N.CC(C)c1ccnc(-n2cnnc2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1cn2ccccc2n1.CC(C)c1cncnc1N.CC(C)c1cnco1.CC(C)c1csc2c1CCCC2.CC(C)c1nn(C)c2ccccc12.CCOc1cccc(C(C)C)c1.COc1ccc(C(C)C)cc1Cl.COc1cccc(C(C)C)c1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1O.Cc1nnc2c(C(C)C)cccn12
InChIInChI=1S/C12H14FN.C12H18N2.C11H13N3.C11H14N2.C11H13N.C11H14O2.C11H16O.C11H16S.C10H13ClO.3C10H12N4.C10H13N3.C10H12N2.2C10H14O.C8H10ClN.C8H11NOS.C8H12S.C7H11N3.C7H12N2.C6H9NO/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-9(2)11-6-4-3-5-10(11)7-8-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-8(2)9-3-4-11-10(5-9)14-6-12-13-7-14;1-7(2)8-5-3-4-6-9(8)10-11-13-14-12-10;1-7(2)9-5-4-6-13-8(3)11-12-10(9)13;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)7-4-3-5-8(9)10-7;1-5(2)6-3-4-7(11-6)8(9)10;1-6(2)8-5-4-7(3)9-8;1-5(2)6-3-9-4-10-7(6)8;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-4-8-6/h4-7,14H,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);4-8H,1-3H3;3-6,9H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14);4-7H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;4-7,11H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H2,9,10);4-6H,1-3H3;3-5H,1-2H3,(H2,8,9,10);4-5H,1-3H3,(H,8,9);3-5H,1-2H3
InChIKeyOBGXLYMKXJVYNR-UHFFFAOYSA-N
XLogP56.58
TPSA543.98 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003647.97
LogP ≤ 556.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-1-methoxy-3-propan-2-ylbenzene;3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;4-methoxy-2-methyl-1-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 159579774
CID 161254180
CID 161254180
CID 162268850
CID 162268850
CID 162268877
CID 162268877
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
1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1,2-dimethyl-4-propan-2-ylbenzene;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-2-propan-2-yl-1H-imidazole;5-methyl-3-propan-2-yl-1H-pyridin-2-one;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;6-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;bis(4-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole
CID 162282133
2-chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;2,4-dimethoxy-5-methylpyrimidine;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-6-methylnaphthalene;2-methoxy-5-methylpyrimidine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;2-methylfuran;5-methylfuran-2-carbaldehyde;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;1-methyl-3-propan-2-yloxybenzene;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine;1,3-xylene
CID 157075454
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
2-chloro-5-methylthiophene;N-cyclopropyl-3-methylbenzamide;1,4-dimethylpyrazole;2,4-dimethylpyridine;2-ethoxy-6-methylnaphthalene;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyrimidine;2-methoxynaphthalene;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyldibenzofuran;7-methyl-3,4-dihydro-2H-1,5-benzodioxepine;6-methylnaphthalen-2-ol;1-methyl-4-phenoxybenzene;(3-methylphenyl)-morpholin-4-ylmethanone;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethylpyrimidine
CID 158169379
4-(3-chloro-4-methylphenyl)-1,2,4-triazole;2-chloro-1-methyl-4-propan-2-yloxybenzene;2-chloro-4-methyl-1-propan-2-yloxybenzene;2,4-dimethyl-1H-benzimidazole;2,7-dimethyl-1,3-benzoxazole;1,4-dimethylindazole;1,7-dimethylindazole;1-ethoxy-2-methoxy-4-methylbenzene;1-ethyl-2,4-dimethylbenzene;1-ethyl-2-methoxy-4-methylbenzene;2-fluoro-1-methyl-4-propan-2-yloxybenzene;2-fluoro-4-methyl-1-propan-2-yloxybenzene;2-methoxy-1,3,5-trimethylbenzene;8-methyl-3,4-dihydro-2H-chromene;1-methyl-2-propan-2-yloxybenzene;1-methyl-4-propan-2-yloxybenzene;2-methyl-6-propan-2-ylphenol;1-methyl-4-propan-2-ylsulfinylbenzene;1-methyl-4-propoxybenzene;5-methylquinoxaline
CID 158197993
CID 158657772
CID 158657772
CID 158717914
CID 158717914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine (CID 162282048) is 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine is CC(C)c1cc(-c2cccnc2)n[nH]1.CC(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)c1ccc(C(N)=O)s1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1cccc(Cl)n1.CC(C)c1ccccc1-c1nn[nH]n1.CC(C)c1ccccc1CC#N.CC(C)c1ccnc(-n2cnnc2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1cn2ccccc2n1.CC(C)c1cncnc1N.CC(C)c1cnco1.CC(C)c1csc2c1CCCC2.CC(C)c1nn(C)c2ccccc12.CCOc1cccc(C(C)C)c1.COc1ccc(C(C)C)cc1Cl.COc1cccc(C(C)C)c1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)[nH]c2ccc(F)cc12.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1O.Cc1nnc2c(C(C)C)cccn12.
What is the InChIKey of 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is OBGXLYMKXJVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN.C12H18N2.C11H13N3.C11H14N2.C11H13N.C11H14O2.C11H16O.C11H16S.C10H13ClO.3C10H12N4.C10H13N3.C10H12N2.2C10H14O.C8H10ClN.C8H11NOS.C8H12S.C7H11N3.C7H12N2.C6H9NO/c1-7(2)12-8(3)10-6-9(13)4-5-11(10)14-12;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-9(2)11-6-4-3-5-10(11)7-8-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-3-5-9(6-4-8)10-11-13-14-12-10;1-8(2)9-3-4-11-10(5-9)14-6-12-13-7-14;1-7(2)8-5-3-4-6-9(8)10-11-13-14-12-10;1-7(2)9-5-4-6-13-8(3)11-12-10(9)13;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)9-6-4-5-8(3)10(9)11;1-6(2)7-4-3-5-8(9)10-7;1-5(2)6-3-4-7(11-6)8(9)10;1-6(2)8-5-4-7(3)9-8;1-5(2)6-3-9-4-10-7(6)8;1-5(2)7-4-8-9-6(7)3;1-5(2)6-3-7-4-8-6/h4-7,14H,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-8H,1-2H3,(H,13,14);4-8H,1-3H3;3-6,9H,7H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12,13,14);3-8H,1-2H3;3-7H,1-2H3,(H,11,12,13,14);4-7H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;4-7,11H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H2,9,10);4-6H,1-3H3;3-5H,1-2H3,(H2,8,9,10);4-5H,1-3H3,(H,8,9);3-5H,1-2H3.
What are the key properties of 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine?
2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 3647.97 g/mol, XLogP of 56.58, 33 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-propan-2-ylbenzene;2-chloro-6-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylindazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1,3-oxazole;2-(2-propan-2-ylphenyl)acetonitrile;5-(2-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;5-propan-2-ylpyrimidin-4-amine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-ylthiophene-2-carboxamide;4-propan-2-yl-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 162282048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).