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

C206H242Cl2F10N16O12S — CID 161316272

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;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
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(N)sc2c1.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.[H]/N=C(\N)c1cccc(C(C)C)c1
InChIInChI=1S/C17H15ClF3NO.C17H16F3NO.C16H16O2.C11H13NO.2C11H13N.C10H12F2.C10H12N2S.3C10H12N2.C10H14N2.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;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;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;1-7(2)8-4-3-5-9(6-8)10(11)12;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;3-6H,1-2H3,(H2,11,12);3*3-7H,1-2H3,(H,11,12);3-7H,1-2H3,(H3,11,12);3*3-6,11H,1-2H3;3-7H,10H2,1-2H3;3-6,10-11H,1-2H3;2*3-7,10H,1-2H3
InChIKeyVJNPRJKUALXSDP-UHFFFAOYSA-N
MW3427.25 g/mol
LogP58.76
Rot. Bonds27

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;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

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 (PubChem CID 161316272) has the molecular formula C206H242Cl2F10N16O12S and a molecular weight of 3427.25 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;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.

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;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
PubChem CID161316272
Molecular FormulaC206H242Cl2F10N16O12S
Molecular Weight3427.25 g/mol
Exact Mass3423.78
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;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
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(N)sc2c1.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.[H]/N=C(\N)c1cccc(C(C)C)c1
InChIInChI=1S/C17H15ClF3NO.C17H16F3NO.C16H16O2.C11H13NO.2C11H13N.C10H12F2.C10H12N2S.3C10H12N2.C10H14N2.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;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;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;1-7(2)8-4-3-5-9(6-8)10(11)12;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;3-6H,1-2H3,(H2,11,12);3*3-7H,1-2H3,(H,11,12);3-7H,1-2H3,(H3,11,12);3*3-6,11H,1-2H3;3-7H,10H2,1-2H3;3-6,10-11H,1-2H3;2*3-7,10H,1-2H3
InChIKeyVJNPRJKUALXSDP-UHFFFAOYSA-N
XLogP58.76
TPSA487.63 Ų
H-Bond Donors19
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003427.25
LogP ≤ 558.76
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1020

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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;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 with MolForge

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Related Compounds

6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 157350464
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

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;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?
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;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) 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;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.
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;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?
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;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 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(N)sc2c1.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.[H]/N=C(\N)c1cccc(C(C)C)c1.
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;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?
The InChIKey is VJNPRJKUALXSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO.C17H16F3NO.C16H16O2.C11H13NO.2C11H13N.C10H12F2.C10H12N2S.3C10H12N2.C10H14N2.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;1-6(2)7-3-4-8-9(5-7)13-10(11)12-8;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;1-7(2)8-4-3-5-9(6-8)10(11)12;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;3-6H,1-2H3,(H2,11,12);3*3-7H,1-2H3,(H,11,12);3-7H,1-2H3,(H3,11,12);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;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?
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 has a molecular weight of 3427.25 g/mol, XLogP of 58.76, 27 rotatable bonds, 19 hydrogen bond donors, and 20 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;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 is sourced from PubChem (CID 161316272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).