2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol

C258H330Cl8F3N13O13 — CID 159280858

IUPAC2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
SMILESCC(C)C1=CC(O)=CC2C(=O)CCC12.CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=CC2.CC(C)c1c(F)ccc(O)c1Cl.CC(C)c1c(O)cccc1Cl.CC(C)c1c(O)cccc1F.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)cc12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.COc1cc(C(C)C)c2c(ccn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc(Cl)c(Cl)c(C(C)C)c1.Cc1cc(Cl)c(Cl)c(C(C)C)n1.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(N2CCCC2)c(C(C)C)c1.Cc1nc2c(C(C)C)cc(O)cc2[nH]1
InChIInChI=1S/C15H18.C14H21N.2C14H18.C13H17NO.C12H16N2.3C12H15NO.C12H16O2.C12H14.2C11H14N2O.C11H16.C10H12Cl2.C10H13Cl.C10H13FO.C9H11Cl2N.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-10(2)15-13-5-3-4-11(13)8-9-14(15)12-6-7-12;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;2*1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(2)12-8-11(15-4)7-10-5-6-14(3)13(10)12;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;1-8(2)11-5-10(14)4-9-6-13(3)7-12(9)11;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-8(2)11-7-10(14)6-9-4-5-13(3)12(9)11;1-7(2)10-5-8(13)6-11-9(10)3-4-12(11)14;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)10-5-9(14)4-8-6-13(3)12-11(8)10;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;1-8(2)11-7-9(3)5-6-10(11)4;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-8(11)5-4-6-9(10)12-3;1-5(2)9-8(11)7(10)4-6(3)12-9;1-5(2)8-6(11)3-4-7(12)9(8)10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8/h3,5,8-10,12H,4,6-7H2,1-2H3;6-7,10-11H,4-5,8-9H2,1-3H3;2*5,7-9H,6H2,1-4H3;5-9H,1-4H3;4-8H,13H2,1-3H3;3*4-8,14H,1-3H3;5-7,9,11,13H,3-4H2,1-2H3;3-6,8-9H,7H2,1-2H3;4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;3-5,12H,1-2H3;2*3-6,11H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3
InChIKeyKYWZMTAFTAQRCA-UHFFFAOYSA-N
MW4162.17 g/mol
LogP75.10
Rot. Bonds27

About 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol

2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol (PubChem CID 159280858) has the molecular formula C258H330Cl8F3N13O13 and a molecular weight of 4162.17 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
PubChem CID159280858
Molecular FormulaC258H330Cl8F3N13O13
Molecular Weight4162.17 g/mol
Exact Mass4155.30
IUPAC Name2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
SMILESCC(C)C1=CC(O)=CC2C(=O)CCC12.CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=CC2.CC(C)c1c(F)ccc(O)c1Cl.CC(C)c1c(O)cccc1Cl.CC(C)c1c(O)cccc1F.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)cc12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.COc1cc(C(C)C)c2c(ccn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc(Cl)c(Cl)c(C(C)C)c1.Cc1cc(Cl)c(Cl)c(C(C)C)n1.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(N2CCCC2)c(C(C)C)c1.Cc1nc2c(C(C)C)cc(O)cc2[nH]1
InChIInChI=1S/C15H18.C14H21N.2C14H18.C13H17NO.C12H16N2.3C12H15NO.C12H16O2.C12H14.2C11H14N2O.C11H16.C10H12Cl2.C10H13Cl.C10H13FO.C9H11Cl2N.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-10(2)15-13-5-3-4-11(13)8-9-14(15)12-6-7-12;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;2*1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(2)12-8-11(15-4)7-10-5-6-14(3)13(10)12;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;1-8(2)11-5-10(14)4-9-6-13(3)7-12(9)11;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-8(2)11-7-10(14)6-9-4-5-13(3)12(9)11;1-7(2)10-5-8(13)6-11-9(10)3-4-12(11)14;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)10-5-9(14)4-8-6-13(3)12-11(8)10;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;1-8(2)11-7-9(3)5-6-10(11)4;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-8(11)5-4-6-9(10)12-3;1-5(2)9-8(11)7(10)4-6(3)12-9;1-5(2)8-6(11)3-4-7(12)9(8)10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8/h3,5,8-10,12H,4,6-7H2,1-2H3;6-7,10-11H,4-5,8-9H2,1-3H3;2*5,7-9H,6H2,1-4H3;5-9H,1-4H3;4-8H,13H2,1-3H3;3*4-8,14H,1-3H3;5-7,9,11,13H,3-4H2,1-2H3;3-6,8-9H,7H2,1-2H3;4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;3-5,12H,1-2H3;2*3-6,11H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3
InChIKeyKYWZMTAFTAQRCA-UHFFFAOYSA-N
XLogP75.10
TPSA364.02 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004162.17
LogP ≤ 575.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol with MolForge

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Related Compounds

2-chloro-4-fluoro-3-propan-2-ylphenol;3-chloro-2-propan-2-ylphenol;5-cyclopropyl-4-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
CID 157248976
2-chloro-4-fluoro-3-propan-2-ylphenol;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-isoindole;5,6-dimethyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-isoindole;1-fluoro-3-methoxy-2-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-1H-indene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindazole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
CID 157308458
4-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;methane;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 157489932
CID 157885617
CID 157885617
4-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;8-propan-2-ylindolizin-6-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 158357477
2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;5,6-dimethyl-4-propan-2-yl-1H-indene;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene;2-propan-2-ylphenol
CID 159336242
5-cyclopropyl-4-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene
CID 161684546
5-chloro-1-propan-2-yl-1H-indene;7-chloro-1-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);6-fluoro-1-propan-2-yl-1H-indene;2-methylidene-4-propan-2-yl-1,3-dihydroindene;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-1-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;7-propan-2-yl-2H-benzimidazol-5-ol;5-propan-2-yl-1H-imidazo[1,2-a]pyridin-7-one;5-propan-2-ylindolizin-7-ol;7-propan-2-yl-1H-indol-5-ol;7-propan-2-yl-1H-pyrazolo[1,5-a]pyridin-5-one
CID 165097983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?
The IUPAC name of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol (CID 159280858) is 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol.
What is the SMILES notation for 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?
The canonical SMILES for 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol is CC(C)C1=CC(O)=CC2C(=O)CCC12.CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=CC2.CC(C)c1c(F)ccc(O)c1Cl.CC(C)c1c(O)cccc1Cl.CC(C)c1c(O)cccc1F.CC(C)c1cc(N)cc2c1ccn2C.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)cc12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.COc1cc(C(C)C)c2c(ccn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc(Cl)c(Cl)c(C(C)C)c1.Cc1cc(Cl)c(Cl)c(C(C)C)n1.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(N2CCCC2)c(C(C)C)c1.Cc1nc2c(C(C)C)cc(O)cc2[nH]1.
What is the InChIKey of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?
The InChIKey is KYWZMTAFTAQRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C14H21N.2C14H18.C13H17NO.C12H16N2.3C12H15NO.C12H16O2.C12H14.2C11H14N2O.C11H16.C10H12Cl2.C10H13Cl.C10H13FO.C9H11Cl2N.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-10(2)15-13-5-3-4-11(13)8-9-14(15)12-6-7-12;1-11(2)13-10-12(3)6-7-14(13)15-8-4-5-9-15;2*1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-9(2)12-8-11(15-4)7-10-5-6-14(3)13(10)12;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;1-8(2)11-5-10(14)4-9-6-13(3)7-12(9)11;1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3;1-8(2)11-7-10(14)6-9-4-5-13(3)12(9)11;1-7(2)10-5-8(13)6-11-9(10)3-4-12(11)14;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)10-5-9(14)4-8-6-13(3)12-11(8)10;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;1-8(2)11-7-9(3)5-6-10(11)4;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-8(11)5-4-6-9(10)12-3;1-5(2)9-8(11)7(10)4-6(3)12-9;1-5(2)8-6(11)3-4-7(12)9(8)10;2*1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-7(9)4-3-5-10-8/h3,5,8-10,12H,4,6-7H2,1-2H3;6-7,10-11H,4-5,8-9H2,1-3H3;2*5,7-9H,6H2,1-4H3;5-9H,1-4H3;4-8H,13H2,1-3H3;3*4-8,14H,1-3H3;5-7,9,11,13H,3-4H2,1-2H3;3-6,8-9H,7H2,1-2H3;4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);5-8H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;4-5H,1-3H3;3-5,12H,1-2H3;2*3-6,11H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol?
2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol has a molecular weight of 4162.17 g/mol, XLogP of 75.10, 27 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-3-propan-2-ylphenol;1-chloro-4-methyl-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylphenol;3-chloro-2-propan-2-ylpyridine;5-cyclopropyl-4-propan-2-yl-1H-indene;1,2-dichloro-5-methyl-3-propan-2-ylbenzene;3,4-dichloro-6-methyl-2-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;6-hydroxy-4-propan-2-yl-2,3,3a,7a-tetrahydroinden-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;2-methyl-7-propan-2-ylindazol-5-ol;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;2-methyl-7-propan-2-ylisoindol-5-ol;1-(4-methyl-2-propan-2-ylphenyl)pyrrolidine;3-propan-2-yl-1H-indene;2-propan-2-ylphenol is sourced from PubChem (CID 159280858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).