4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide

C186H216Cl2F10N12O12 — CID 161313079

IUPAC4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl.CC(C)c1cc(O)ccc1Cl.CC(C)c1cc(O)ccc1F.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(O)c(O)c1.CC(C)c1ccc(O)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(N)c1.CC(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc(OC(=O)c2ccccc2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC(=O)N2
InChIInChI=1S/C17H15ClF3NO.C17H16F3NO.C16H16O2.C11H13NO.2C11H13N.C10H12F2.3C10H12N2.C9H11ClO.2C9H11FO.C9H13N.C9H12O2.2C9H12O/c1-10(2)14-9-13(6-7-15(14)18)22-16(23)11-4-3-5-12(8-11)17(19,20)21;1-11(2)12-5-4-8-15(10-12)21-16(22)13-6-3-7-14(9-13)17(18,19)20;1-12(2)14-9-6-10-15(11-14)18-16(17)13-7-4-3-5-8-13;1-7(2)8-4-3-5-10-9(8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;2*1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8/h3-10H,1-2H3,(H,22,23);3-11H,1-2H3,(H,21,22);3-12H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-7,10H,1-2H3;3*3-7H,1-2H3,(H,11,12);3*3-6,11H,1-2H3;3-7H,10H2,1-2H3;3-6,10-11H,1-2H3;2*3-7,10H,1-2H3
InChIKeyVJDLBXGZOODDTB-UHFFFAOYSA-N
MW3072.73 g/mol
LogP53.66
Rot. Bonds24

About 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide

4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 161313079) has the molecular formula C186H216Cl2F10N12O12 and a molecular weight of 3072.73 g/mol. Its IUPAC name is 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID161313079
Molecular FormulaC186H216Cl2F10N12O12
Molecular Weight3072.73 g/mol
Exact Mass3069.59
IUPAC Name4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl.CC(C)c1cc(O)ccc1Cl.CC(C)c1cc(O)ccc1F.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(O)c(O)c1.CC(C)c1ccc(O)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(N)c1.CC(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc(OC(=O)c2ccccc2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC(=O)N2
InChIInChI=1S/C17H15ClF3NO.C17H16F3NO.C16H16O2.C11H13NO.2C11H13N.C10H12F2.3C10H12N2.C9H11ClO.2C9H11FO.C9H13N.C9H12O2.2C9H12O/c1-10(2)14-9-13(6-7-15(14)18)22-16(23)11-4-3-5-12(8-11)17(19,20)21;1-11(2)12-5-4-8-15(10-12)21-16(22)13-6-3-7-14(9-13)17(18,19)20;1-12(2)14-9-6-10-15(11-14)18-16(17)13-7-4-3-5-8-13;1-7(2)8-4-3-5-10-9(8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;2*1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8/h3-10H,1-2H3,(H,22,23);3-11H,1-2H3,(H,21,22);3-12H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-7,10H,1-2H3;3*3-7H,1-2H3,(H,11,12);3*3-6,11H,1-2H3;3-7H,10H2,1-2H3;3-6,10-11H,1-2H3;2*3-7,10H,1-2H3
InChIKeyVJDLBXGZOODDTB-UHFFFAOYSA-N
XLogP53.66
TPSA398.85 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003072.73
LogP ≤ 553.66
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 158217318
4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;3-propan-2-ylbenzenecarboximidamide;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 161316272
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 157962525
2-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2,4-difluorophenol;4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,5-difluorophenol;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-(1H-indol-4-yl)-1H-indazole;5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 158759167
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-6-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-difluorobenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxy-2-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4,6-trifluorobenzamide;2,6-difluoro-N-[5-[6-(pyrrolidine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 159301041
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;bis(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;4-tert-butyl-5-methyl-1H-indazol-3-amine;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;1-tert-butylpyridin-2-one;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159503097
4-tert-butylbenzamide;tert-butylbenzene;3-tert-butyl-4-chlorophenol;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;3-tert-butyl-4-methylphenol;4-tert-butylnaphthalen-2-ol;5-tert-butyl-1H-pyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 161740669
4-tert-butylbenzamide;3-tert-butyl-4-chlorophenol;4-tert-butylcyclohexa-2,4-dien-1-one;tris(4-tert-butyl-3,5-dimethyl-2H-indazole);3-tert-butyl-4,5-dimethylphenol;7-tert-butyl-6-fluoro-1H-indazole;2-tert-butyl-3-fluorophenol;1-tert-butylimidazol-2-amine;4-tert-butyl-1H-indole;4-tert-butyl-5-methyl-2H-benzotriazole;7-tert-butyl-6-methyl-1H-indazol-3-amine;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-6-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol;4-tert-butyl-1H-pyrazol-5-amine;4-tert-butyl-1H-pyrazole;1-tert-butylpyridin-2-one;4-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162075857
CID 164961296
CID 164961296

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide (CID 161313079) is 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide is CC(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl.CC(C)c1cc(O)ccc1Cl.CC(C)c1cc(O)ccc1F.CC(C)c1ccc(F)c(O)c1.CC(C)c1ccc(O)c(O)c1.CC(C)c1ccc(O)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc(N)c1.CC(C)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.CC(C)c1cccc(O)c1.CC(C)c1cccc(OC(=O)c2ccccc2)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CC(=O)N2.
What is the InChIKey of 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is VJDLBXGZOODDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO.C17H16F3NO.C16H16O2.C11H13NO.2C11H13N.C10H12F2.3C10H12N2.C9H11ClO.2C9H11FO.C9H13N.C9H12O2.2C9H12O/c1-10(2)14-9-13(6-7-15(14)18)22-16(23)11-4-3-5-12(8-11)17(19,20)21;1-11(2)12-5-4-8-15(10-12)21-16(22)13-6-3-7-14(9-13)17(18,19)20;1-12(2)14-9-6-10-15(11-14)18-16(17)13-7-4-3-5-8-13;1-7(2)8-4-3-5-10-9(8)6-11(13)12-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;2*1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-8(10)9(11)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8/h3-10H,1-2H3,(H,22,23);3-11H,1-2H3,(H,21,22);3-12H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-7,10H,1-2H3;3*3-7H,1-2H3,(H,11,12);3*3-6,11H,1-2H3;3-7H,10H2,1-2H3;3-6,10-11H,1-2H3;2*3-7,10H,1-2H3.
What are the key properties of 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 3072.73 g/mol, XLogP of 53.66, 24 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161313079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).