2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol

C167H217Br2Cl2F22N3O14S — CID 160820541

IUPAC2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol
SMILESCC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)c(O)c1.CC(C)Cc1ccc(Cl)c(OC(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1ccc(O)c(Br)c1.CC(C)Cc1ccc(O)c(C(C)(C)C)c1.CC(C)Cc1ccc(O)c(C(F)(F)F)c1.CC(C)Cc1ccc(O)c(C(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.CC(C)Cc1cccc(OCC(F)(F)F)c1.COc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H22O.C13H19FO.C12H15F3O.C11H12ClF3O.C11H12F4.2C11H13F3O.C11H14FNO.C11H15FO.C11H17NO2S.C11H15NO2.2C10H13BrO.C10H12ClF.C10H12F2/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15;1-7(2)5-8-3-4-9(12)10(6-8)16-11(13,14)15;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-7(2)5-8-3-4-10(15)9(6-8)11(12,13)14;1-7(2)5-8-3-4-9(10(15)6-8)11(12,13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-10(13)9(6-8)11(12)14;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8/h6-7,9-10,15H,8H2,1-5H3;5-6,8-10H,7H2,1-4H3;3-5,7,9H,6,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-4,6-7,15H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;4-6,8-9,12H,7H2,1-3H3;3-4,6-7,13H,5H2,1-2H3,(H2,12,14);2*3-4,6-7,12H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;4-7H,3H2,1-2H3
InChIKeySFMHXBJURNAJDV-UHFFFAOYSA-N
MW3171.32 g/mol
LogP49.87
Rot. Bonds40

About 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol

2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol (PubChem CID 160820541) has the molecular formula C167H217Br2Cl2F22N3O14S and a molecular weight of 3171.32 g/mol. Its IUPAC name is 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol
PubChem CID160820541
Molecular FormulaC167H217Br2Cl2F22N3O14S
Molecular Weight3171.32 g/mol
Exact Mass3166.35
IUPAC Name2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol
SMILESCC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)c(O)c1.CC(C)Cc1ccc(Cl)c(OC(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1ccc(O)c(Br)c1.CC(C)Cc1ccc(O)c(C(C)(C)C)c1.CC(C)Cc1ccc(O)c(C(F)(F)F)c1.CC(C)Cc1ccc(O)c(C(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.CC(C)Cc1cccc(OCC(F)(F)F)c1.COc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H22O.C13H19FO.C12H15F3O.C11H12ClF3O.C11H12F4.2C11H13F3O.C11H14FNO.C11H15FO.C11H17NO2S.C11H15NO2.2C10H13BrO.C10H12ClF.C10H12F2/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15;1-7(2)5-8-3-4-9(12)10(6-8)16-11(13,14)15;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-7(2)5-8-3-4-10(15)9(6-8)11(12,13)14;1-7(2)5-8-3-4-9(10(15)6-8)11(12,13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-10(13)9(6-8)11(12)14;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8/h6-7,9-10,15H,8H2,1-5H3;5-6,8-10H,7H2,1-4H3;3-5,7,9H,6,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-4,6-7,15H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;4-6,8-9,12H,7H2,1-3H3;3-4,6-7,13H,5H2,1-2H3,(H2,12,14);2*3-4,6-7,12H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;4-7H,3H2,1-2H3
InChIKeySFMHXBJURNAJDV-UHFFFAOYSA-N
XLogP49.87
TPSA290.65 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003171.32
LogP ≤ 549.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol
CID 161249781
2-bromo-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1,3-difluoro-5-(2-methylpropyl)benzene;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 162217708
1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea
CID 157188916
2-tert-butyl-5-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)phenol;2-(difluoromethoxy)-1-fluoro-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;2-ethynyl-1-fluoro-4-(2-methylpropyl)benzene;1-ethynyl-3-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-prop-1-ynylbenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-prop-1-ynylbenzene;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethoxy)benzene
CID 161295413
2-chloro-1-fluoro-4-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)phenol;2-(difluoromethoxy)-1-fluoro-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;2-ethynyl-1-fluoro-4-(2-methylpropyl)benzene;1-ethynyl-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-prop-1-ynylbenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1-isocyano-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-prop-1-ynylbenzene;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethoxy)benzene;5-(2-methylpropyl)-2-(trifluoromethyl)phenol
CID 160796803
methyl 2-amino-3-[3-(2,2,2-trifluoroethoxy)phenyl]propanoate
CID 138985988
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 38268450
2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 92680149
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34378925
2-bromo-4-[(3-chloro-4-propan-2-yloxyanilino)methyl]phenol
CID 60981482
2-chloro-5-methylsulfonyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78889136
N-[5-[(2S)-3-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
CID 11181255

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol?
The IUPAC name of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol (CID 160820541) is 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol?
The canonical SMILES for 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol is CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)c(O)c1.CC(C)Cc1ccc(C(F)(F)F)c(O)c1.CC(C)Cc1ccc(Cl)c(OC(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1ccc(O)c(Br)c1.CC(C)Cc1ccc(O)c(C(C)(C)C)c1.CC(C)Cc1ccc(O)c(C(F)(F)F)c1.CC(C)Cc1ccc(O)c(C(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.CC(C)Cc1cccc(OCC(F)(F)F)c1.COc1cc(CC(C)C)ccc1F.
What is the InChIKey of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol?
The InChIKey is SFMHXBJURNAJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C13H19FO.C12H15F3O.C11H12ClF3O.C11H12F4.2C11H13F3O.C11H14FNO.C11H15FO.C11H17NO2S.C11H15NO2.2C10H13BrO.C10H12ClF.C10H12F2/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-9(2)6-10-4-3-5-11(7-10)16-8-12(13,14)15;1-7(2)5-8-3-4-9(12)10(6-8)16-11(13,14)15;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-7(2)5-8-3-4-10(15)9(6-8)11(12,13)14;1-7(2)5-8-3-4-9(10(15)6-8)11(12,13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-10(13)9(6-8)11(12)14;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8/h6-7,9-10,15H,8H2,1-5H3;5-6,8-10H,7H2,1-4H3;3-5,7,9H,6,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*3-4,6-7,15H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;4-6,8-9,12H,7H2,1-3H3;3-4,6-7,13H,5H2,1-2H3,(H2,12,14);2*3-4,6-7,12H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol?
2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol has a molecular weight of 3171.32 g/mol, XLogP of 49.87, 40 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 160820541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).