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

C249H312Cl3F4N17O14 — CID 157308458

IUPAC2-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
SMILESCC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=NC2.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)cc2c1CNC2=O.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1cc(O)cc2nn(C)cc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.CC1=C(C(C)C)c2ccccc2C1.COc1cc(C(C)C)c2c(cnn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=NC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1nc2c(C(C)C)cc(O)cc2[nH]1
InChIInChI=1S/C14H17N.C14H18.C13H17N.2C13H16.C12H13F.C12H16N2O.C12H16N2.C12H17NO.2C12H15NO.C12H14.3C11H14N2O.C11H13NO2.C10H13FO.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-9(2)14-12(10-3-4-10)6-5-11-7-15-8-13(11)14;1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-8(2)13-10(4)9(3)5-11-6-14-7-12(11)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-10(15-4)5-9-7-13-14(3)12(9)11;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;2*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;1-9(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;1-7(2)9-4-8(14)5-11-10(9)6-13(3)12-11;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;1-6(2)8-3-7(13)4-9-10(8)5-12-11(9)14;1-7(2)10-8(11)5-4-6-9(10)12-3;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/h5-6,8-10H,3-4,7H2,1-2H3;5,7-9H,6H2,1-4H3;5,7-8H,6H2,1-4H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;3,5-8H,4H2,1-2H3;5-8H,1-4H3;4-8H,13H2,1-3H3;6-8,14H,4-5H2,1-3H3;2*4-8,14H,1-3H3;3-6,8-9H,7H2,1-2H3;2*4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-4,6,13H,5H2,1-2H3,(H,12,14);4-7H,1-3H3;3-5,12H,1-2H3;2*3-6,11H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3
InChIKeyBCTLOTXGABHROR-UHFFFAOYSA-N
MW3949.69 g/mol
LogP65.88
Rot. Bonds25

About 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

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 (PubChem CID 157308458) has the molecular formula C249H312Cl3F4N17O14 and a molecular weight of 3949.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157308458
Molecular FormulaC249H312Cl3F4N17O14
Molecular Weight3949.69 g/mol
Exact Mass3945.32
IUPAC Name2-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
SMILESCC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=NC2.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)cc2c1CNC2=O.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1cc(O)cc2nn(C)cc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.CC1=C(C(C)C)c2ccccc2C1.COc1cc(C(C)C)c2c(cnn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=NC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1nc2c(C(C)C)cc(O)cc2[nH]1
InChIInChI=1S/C14H17N.C14H18.C13H17N.2C13H16.C12H13F.C12H16N2O.C12H16N2.C12H17NO.2C12H15NO.C12H14.3C11H14N2O.C11H13NO2.C10H13FO.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-9(2)14-12(10-3-4-10)6-5-11-7-15-8-13(11)14;1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-8(2)13-10(4)9(3)5-11-6-14-7-12(11)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-10(15-4)5-9-7-13-14(3)12(9)11;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;2*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;1-9(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;1-7(2)9-4-8(14)5-11-10(9)6-13(3)12-11;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;1-6(2)8-3-7(13)4-9-10(8)5-12-11(9)14;1-7(2)10-8(11)5-4-6-9(10)12-3;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/h5-6,8-10H,3-4,7H2,1-2H3;5,7-9H,6H2,1-4H3;5,7-8H,6H2,1-4H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;3,5-8H,4H2,1-2H3;5-8H,1-4H3;4-8H,13H2,1-3H3;6-8,14H,4-5H2,1-3H3;2*4-8,14H,1-3H3;3-6,8-9H,7H2,1-2H3;2*4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-4,6,13H,5H2,1-2H3,(H,12,14);4-7H,1-3H3;3-5,12H,1-2H3;2*3-6,11H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3
InChIKeyBCTLOTXGABHROR-UHFFFAOYSA-N
XLogP65.88
TPSA433.89 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003949.69
LogP ≤ 565.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-(5-chloro-1H-imidazol-2-yl)-N-(4-methoxyphenyl)-2-methylaniline;N-[2-(diethylamino)ethyl]-4-(4-methoxyanilino)benzamide;4-[4-(diethylaminomethyl)triazol-1-yl]-N-(4-methoxyphenyl)aniline;N-[4-[4-(diethylaminomethyl)triazol-1-yl]phenyl]-3-methoxyaniline;4-[4-(diethylaminomethyl)triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]aniline;N-[3-(dimethylamino)propyl]-4-(4-methoxyanilino)benzamide;3-[1-[4-(3-methoxyanilino)phenyl]triazol-4-yl]propan-1-ol;3-[1-[4-(4-methoxyanilino)phenyl]triazol-4-yl]propan-1-ol;4-[(3-methoxyphenyl)methyl]-N-(3-methylbutyl)benzamide;4-[(4-methoxyphenyl)methyl]-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;N-(3-methylbutyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-methyl-N-(3-methylbutyl)-4-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 157144846
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4S)-4-[5-(3-acetylphenyl)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 157339716
5-chloro-1-propan-2-ylindole;2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;5,6-dimethyl-2-propan-2-ylindazole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole
CID 157577967
5-chloro-1-propan-2-ylindole;2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;5,6-dimethyl-2-propan-2-ylindazole;1,6-dimethyl-3-propan-2-yl-3H-indol-1-ium-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;1-methoxy-3-propan-2-ylbenzene;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole
CID 157662877
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-(trifluoromethoxy)-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 159057274
5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
CID 159592086
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-phenylpyrazol-3-yl)ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-methoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone
CID 160904928
3-[[4-[1-[3-[2-chloro-5-(trifluoromethyl)phenyl]-5-(7-methoxyquinolin-3-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxyquinolin-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[[3-(3,5-dichlorophenyl)-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid;3-[[4-[[3-(3,4-dichlorophenyl)-5-[7-(trifluoromethyl)quinolin-3-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 161106392
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
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-7-fluoro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 157842492
CID 157885617
CID 157885617
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trichlorobenzamide;2,6-difluoro-N-[5-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[5-hydroxy-4-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(5-phenyl-1H-imidazol-2-yl)-1H-pyrazol-4-yl]benzamide
CID 158162837

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c(C2CC2)ccc2c1C=NC2.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)cc2c1CNC2=O.CC(C)c1cc(O)cc2c1ccn2C.CC(C)c1cc(O)cc2ccn(C)c12.CC(C)c1cc(O)cc2cn(C)nc12.CC(C)c1cc(O)cc2nn(C)cc12.CC(C)c1ccccc1O.CC(C)c1ncccc1Cl.CC1=C(C(C)C)c2ccccc2C1.COc1cc(C(C)C)c2c(cnn2C)c1.COc1cccc(F)c1C(C)C.Cc1cc2c(c(C(C)C)c1C)C=CC2.Cc1cc2c(c(C(C)C)c1C)C=NC2.Cc1ccc2c(c1C(C)C)C=CC2.Cc1nc2c(C(C)C)cc(O)cc2[nH]1.
What is the InChIKey of 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?
The InChIKey is BCTLOTXGABHROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C14H18.C13H17N.2C13H16.C12H13F.C12H16N2O.C12H16N2.C12H17NO.2C12H15NO.C12H14.3C11H14N2O.C11H13NO2.C10H13FO.C9H10ClFO.C9H11ClO.C9H11FO.C9H12O.C8H10ClN/c1-9(2)14-12(10-3-4-10)6-5-11-7-15-8-13(11)14;1-9(2)14-11(4)10(3)8-12-6-5-7-13(12)14;1-8(2)13-10(4)9(3)5-11-6-14-7-12(11)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-6-10(15-4)5-9-7-13-14(3)12(9)11;1-8(2)11-6-9(13)7-12-10(11)4-5-14(12)3;2*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;1-9(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;1-7(2)9-4-8(14)5-11-10(9)6-13(3)12-11;1-6(2)9-4-8(14)5-10-11(9)13-7(3)12-10;1-6(2)8-3-7(13)4-9-10(8)5-12-11(9)14;1-7(2)10-8(11)5-4-6-9(10)12-3;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/h5-6,8-10H,3-4,7H2,1-2H3;5,7-9H,6H2,1-4H3;5,7-8H,6H2,1-4H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;3,5-8H,4H2,1-2H3;5-8H,1-4H3;4-8H,13H2,1-3H3;6-8,14H,4-5H2,1-3H3;2*4-8,14H,1-3H3;3-6,8-9H,7H2,1-2H3;2*4-7,14H,1-3H3;4-6,14H,1-3H3,(H,12,13);3-4,6,13H,5H2,1-2H3,(H,12,14);4-7H,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;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?
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 has a molecular weight of 3949.69 g/mol, XLogP of 65.88, 25 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157308458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).