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

C181H245BrCl2F17N13O14S2 — CID 162217708

IUPAC2-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
SMILESCC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)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(OC(C)C)c1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.CC(C)Cc1cccc(S(N)(=O)=O)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.COc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H21NO.C13H19FO.C13H19NO.C12H16N4.C12H18N2O.2C11H12ClF3O.C11H12F4.C11H13F3O.C11H15FO.C11H16N2O.C11H17NO2S.C10H13BrO.C10H12F2.C10H15NO2S.C10H15N/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)16-12(14)15-8-13;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(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;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(7-9)14(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9/h6-9H,10H2,1-5H3;5-6,8-10H,7H2,1-4H3;5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6H2,1-2H3,(H3,14,15,16);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);4-6,8-9,12H,7H2,1-3H3;3-4,6-7,12H,5H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,11,12,13);3-6,8H,7,11H2,1-2H3
InChIKeyZTRQXVDNLCXCDQ-UHFFFAOYSA-N
MW3364.94 g/mol
LogP48.26
Rot. Bonds45

About 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

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 (PubChem CID 162217708) has the molecular formula C181H245BrCl2F17N13O14S2 and a molecular weight of 3364.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162217708
Molecular FormulaC181H245BrCl2F17N13O14S2
Molecular Weight3364.94 g/mol
Exact Mass3360.66
IUPAC Name2-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
SMILESCC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)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(OC(C)C)c1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.CC(C)Cc1cccc(S(N)(=O)=O)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.COc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H21NO.C13H19FO.C13H19NO.C12H16N4.C12H18N2O.2C11H12ClF3O.C11H12F4.C11H13F3O.C11H15FO.C11H16N2O.C11H17NO2S.C10H13BrO.C10H12F2.C10H15NO2S.C10H15N/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)16-12(14)15-8-13;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(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;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(7-9)14(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9/h6-9H,10H2,1-5H3;5-6,8-10H,7H2,1-4H3;5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6H2,1-2H3,(H3,14,15,16);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);4-6,8-9,12H,7H2,1-3H3;3-4,6-7,12H,5H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,11,12,13);3-6,8H,7,11H2,1-2H3
InChIKeyZTRQXVDNLCXCDQ-UHFFFAOYSA-N
XLogP48.26
TPSA432.58 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds45
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003364.94
LogP ≤ 548.26
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-(difluoromethoxy)-1-fluoro-4-(2-methylpropyl)benzene;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 158633912
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-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
2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 92680149
2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;1-methyl-6-(2-methylpropyl)thieno[2,3-b][1,4]oxazin-2-one;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;6-(2-methylpropyl)-1H-thieno[2,3-b][1,4]oxazin-2-one;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 161437180
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871
2-[3-[(3-methoxy-4-propan-2-yloxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 118795841
(2R)-2-[[amino-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]methylidene]amino]-3-cyclohexyl-N-[(4-fluoro-3-methoxyphenyl)methyl]propanamide
CID 90285620
1-methyl-3-(3-sulfamoylphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 38218632
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
N,N-dimethyl-4-propan-2-ylbenzamide;1-ethoxy-3-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-(2-fluoro-4-propan-2-ylphenyl)-N,N-dimethylethenamine;2-(2-fluoro-4-propan-2-ylphenyl)-N-methylethenamine;1-methoxy-3-propan-2-ylbenzene;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-ylphenol;1-(4-propan-2-ylphenyl)ethanol;(2-propan-2-ylphenyl)methanol;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;2-(3-propan-2-ylphenyl)propan-2-ol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 157272408

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)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(OC(C)C)c1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.CC(C)Cc1cccc(S(N)(=O)=O)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.COc1cc(CC(C)C)ccc1F.
What is the InChIKey of 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?
The InChIKey is ZTRQXVDNLCXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C13H19FO.C13H19NO.C12H16N4.C12H18N2O.2C11H12ClF3O.C11H12F4.C11H13F3O.C11H15FO.C11H16N2O.C11H17NO2S.C10H13BrO.C10H12F2.C10H15NO2S.C10H15N/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)16-12(14)15-8-13;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(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;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8;1-8(2)6-9-4-3-5-10(7-9)14(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9/h6-9H,10H2,1-5H3;5-6,8-10H,7H2,1-4H3;5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6H2,1-2H3,(H3,14,15,16);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);4-6,8-9,12H,7H2,1-3H3;3-4,6-7,12H,5H2,1-2H3;4-7H,3H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,11,12,13);3-6,8H,7,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3364.94 g/mol, XLogP of 48.26, 45 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162217708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).