2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol

C171H231Cl3F11NO9 — CID 159405151

IUPAC2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(O)c(Cl)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(C)(O)C(F)(F)F)c1.CCOc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1C(N)=O.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(CO)cc(C(C)C)c1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C12H15F3O.C12H17FO.2C12H18O.C11H15FO.C11H15NO.C11H16O.C11H16.2C10H13Cl.C10H11F3O.3C10H13F.C10H14.C9H11ClO/c1-8(2)9-5-4-6-10(7-9)11(3,16)12(13,14)15;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-4-13-11-6-5-9(8(2)3)7-10(11)12;1-7(2)9-4-5-10(11(12)13)8(3)6-9;1-8(2)11-5-9(3)4-10(6-11)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-9(11)8(10)5-7/h4-8,16H,1-3H3;5-9H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3,(H2,12,13);4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6,11H,1-2H3
InChIKeyLNVYCGFCRLZVGC-UHFFFAOYSA-N
MW2760.06 g/mol
LogP52.87
Rot. Bonds27

About 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol

2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol (PubChem CID 159405151) has the molecular formula C171H231Cl3F11NO9 and a molecular weight of 2760.06 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol
PubChem CID159405151
Molecular FormulaC171H231Cl3F11NO9
Molecular Weight2760.06 g/mol
Exact Mass2756.65
IUPAC Name2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(O)c(Cl)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(C)(O)C(F)(F)F)c1.CCOc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1C(N)=O.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(CO)cc(C(C)C)c1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1
InChIInChI=1S/C12H15F3O.C12H17FO.2C12H18O.C11H15FO.C11H15NO.C11H16O.C11H16.2C10H13Cl.C10H11F3O.3C10H13F.C10H14.C9H11ClO/c1-8(2)9-5-4-6-10(7-9)11(3,16)12(13,14)15;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-4-13-11-6-5-9(8(2)3)7-10(11)12;1-7(2)9-4-5-10(11(12)13)8(3)6-9;1-8(2)11-5-9(3)4-10(6-11)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-9(11)8(10)5-7/h4-8,16H,1-3H3;5-9H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3,(H2,12,13);4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6,11H,1-2H3
InChIKeyLNVYCGFCRLZVGC-UHFFFAOYSA-N
XLogP52.87
TPSA160.93 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002760.06
LogP ≤ 552.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol 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

8-Chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde;1-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanol
CID 157244243
1,2-bis(trifluoromethyl)benzene;1,4-bis(trifluoromethyl)benzene;1-butoxy-2-fluorobenzene;1-butoxy-3-fluorobenzene;2-chloro-1,4-dimethylbenzene;1-chloro-4-fluorobenzene;1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-propan-2-yloxybenzene;1-chloro-2-(trifluoromethyl)benzene;1-chloro-4-(trifluoromethyl)benzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;1-ethoxy-2-fluorobenzene;1-fluoro-2-methoxy-4-methylbenzene;4-fluoro-N-methylbenzamide;1-fluoro-3-(2-methylpropoxy)benzene;4-fluorophenol;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;1-fluoro-2-propoxybenzene;1-fluoro-3-propoxybenzene;1-fluoro-2-(trifluoromethoxy)benzene;1-fluoro-3-(trifluoromethoxy)benzene;1-fluoro-2-(trifluoromethyl)benzene;3-methylbenzonitrile
CID 157429065
2-Bromo-4-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;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-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)phenol;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)phenol;5-(2-methylpropyl)-2-(trifluoromethyl)phenol
CID 157540151
1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 158004108
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride
CID 158244143
1-tert-butyl-3-chloro-4-ethoxy-2-fluorobenzene;5-tert-butyl-1-chloro-2-ethoxy-3-fluorobenzene;1-tert-butyl-2-chloro-4-(trifluoromethoxy)benzene;1-tert-butyl-2,4-difluoro-3-methoxybenzene;5-tert-butyl-1,3-difluoro-2-methoxybenzene;5-tert-butyl-2-(difluoromethoxy)-1,3-difluorobenzene;1-tert-butyl-4-(difluoromethoxy)-2-fluorobenzene;5-tert-butyl-2-ethoxy-1,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,3-dimethylbenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-2-fluoro-N-methylbenzamide;1-tert-butyl-2-fluoro-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene
CID 158963048
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 159103262
1-Chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 159424168
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159595389
2-chloro-1,4-dimethylbenzene;1-chloro-2-fluorobenzene;1-chloro-4-fluorobenzene;1-chloro-3-methylbenzene;1-(1,1-difluoroethoxy)-3-fluorobenzene;1-(1,1-difluoroethoxy)-4-(trifluoromethoxy)benzene;N,N-dimethylbenzamide;2-fluoro-N,N-dimethylbenzamide;3-fluoro-N,N-dimethylbenzamide;1-fluoro-4-methylbenzene;1-fluoro-3-(2-methylpropoxy)benzene;2-(4-fluorophenyl)ethanol;(4-fluorophenyl)methanol;N-methylbenzamide;1,2,4-trimethylbenzene
CID 159725534
4-(4-Tert-butylphenyl)-2,6-di(propan-2-yl)phenol;4-(3-chloro-2-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-(3-chloro-4-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-(4-chlorophenyl)-2,6-di(propan-2-yl)phenol;4-(2,3-dichlorophenyl)-2,6-di(propan-2-yl)phenol;4-(2,3-difluorophenyl)-2,6-di(propan-2-yl)phenol;2,6-di(propan-2-yl)-4-[4-(trifluoromethoxy)phenyl]phenol;4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzamide;4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenol
CID 159905039
1-tert-butyl-3-chloro-4-ethoxy-2-fluorobenzene;5-tert-butyl-1-chloro-2-ethoxy-3-fluorobenzene;1-tert-butyl-2-chloro-4-(trifluoromethoxy)benzene;1-tert-butyl-2,4-difluoro-3-methoxybenzene;5-tert-butyl-1,3-difluoro-2-methoxybenzene;5-tert-butyl-2-(difluoromethoxy)-1,3-difluorobenzene;1-tert-butyl-4-(difluoromethoxy)-2-fluorobenzene;1-tert-butyl-4-(difluoromethyl)benzene;5-tert-butyl-2-ethoxy-1,3-difluorobenzene;1-tert-butyl-4-ethoxy-2,3-dimethylbenzene;1-tert-butyl-4-ethoxy-2,5-dimethylbenzene;1-tert-butyl-4-(2-fluoroethoxy)benzene;4-tert-butyl-2-fluoro-1-methoxybenzene;4-tert-butyl-2-fluoro-N-methylbenzamide;1-tert-butyl-2-fluoro-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(2,2,2-trifluoroethoxy)benzene
CID 160457984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol (CID 159405151) is 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol is CC(C)Oc1cc(F)cc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(O)c(Cl)c1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1cccc(C(C)(O)C(F)(F)F)c1.CCOc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)ccc1C(N)=O.Cc1cc(C(C)C)ccc1F.Cc1cc(C)cc(C(C)C)c1.Cc1cc(CO)cc(C(C)C)c1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.
What is the InChIKey of 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol?
The InChIKey is LNVYCGFCRLZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O.C12H17FO.2C12H18O.C11H15FO.C11H15NO.C11H16O.C11H16.2C10H13Cl.C10H11F3O.3C10H13F.C10H14.C9H11ClO/c1-8(2)9-5-4-6-10(7-9)11(3,16)12(13,14)15;1-8(2)10-5-11(13)7-12(6-10)14-9(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-4-13-11-6-5-9(8(2)3)7-10(11)12;1-7(2)9-4-5-10(11(12)13)8(3)6-9;1-8(2)11-5-9(3)4-10(6-11)7-12;1-8(2)11-6-9(3)5-10(4)7-11;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)9-4-5-10(11)8(3)6-9;2*1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-9(11)8(10)5-7/h4-8,16H,1-3H3;5-9H,1-4H3;5-9,13H,1-4H3;5-10H,1-4H3;5-8H,4H2,1-3H3;4-7H,1-3H3,(H2,12,13);4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;4-8H,1-3H3;3-6,11H,1-2H3.
What are the key properties of 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol?
2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol has a molecular weight of 2760.06 g/mol, XLogP of 52.87, 27 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 159405151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).