bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene

C262H326Cl6F8N2O2 — CID 159530353

IUPACbis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1-c1ccc(CN)cc1.CC(C)c1ccccc1-c1ccc(F)c(F)c1.CC(C)c1ccccc1-c1ccc(F)cc1.CC(C)c1ccccc1-c1ccc(F)cc1.CC(C)c1ccccc1-c1cccc(CN)c1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CO.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CCc1ccccc1C(C)C.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/2C16H19N.C15H14F2.2C15H15F.C15H16.C12H18.2C11H16.3C10H13Cl.C10H11F3.2C10H14O.4C10H14.C9H10Cl2.C9H11Cl.C9H11F.C9H12/c1-12(2)15-8-3-4-9-16(15)14-7-5-6-13(10-14)11-17;1-12(2)15-5-3-4-6-16(15)14-9-7-13(11-17)8-10-14;1-10(2)12-5-3-4-6-13(12)11-7-8-14(16)15(17)9-11;2*1-11(2)14-5-3-4-6-15(14)12-7-9-13(16)10-8-12;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9/h2*3-10,12H,11,17H2,1-2H3;3-10H,1-2H3;2*3-11H,1-2H3;3-12H,1-2H3;5-10H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3*4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3
InChIKeyMCXLZCLNNAHBGV-UHFFFAOYSA-N
MW3900.20 g/mol
LogP83.15
Rot. Bonds35

About bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene

bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 159530353) has the molecular formula C262H326Cl6F8N2O2 and a molecular weight of 3900.20 g/mol. Its IUPAC name is bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Namebis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID159530353
Molecular FormulaC262H326Cl6F8N2O2
Molecular Weight3900.20 g/mol
Exact Mass3894.35
IUPAC Namebis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1-c1ccc(CN)cc1.CC(C)c1ccccc1-c1ccc(F)c(F)c1.CC(C)c1ccccc1-c1ccc(F)cc1.CC(C)c1ccccc1-c1ccc(F)cc1.CC(C)c1ccccc1-c1cccc(CN)c1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CO.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CCc1ccccc1C(C)C.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/2C16H19N.C15H14F2.2C15H15F.C15H16.C12H18.2C11H16.3C10H13Cl.C10H11F3.2C10H14O.4C10H14.C9H10Cl2.C9H11Cl.C9H11F.C9H12/c1-12(2)15-8-3-4-9-16(15)14-7-5-6-13(10-14)11-17;1-12(2)15-5-3-4-6-16(15)14-9-7-13(11-17)8-10-14;1-10(2)12-5-3-4-6-13(12)11-7-8-14(16)15(17)9-11;2*1-11(2)14-5-3-4-6-15(14)12-7-9-13(16)10-8-12;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9/h2*3-10,12H,11,17H2,1-2H3;3-10H,1-2H3;2*3-11H,1-2H3;3-12H,1-2H3;5-10H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3*4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3
InChIKeyMCXLZCLNNAHBGV-UHFFFAOYSA-N
XLogP83.15
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms280
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003900.20
LogP ≤ 583.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

CID 157406338
CID 157406338
1-Tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-methyl-4-(trifluoromethyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol
CID 157789119
1-Chloro-2-(3-methylbutyl)benzene;1-chloro-4-methyl-2-(3-methylbutyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;1,3-dichloro-2-(3-methylbutyl)benzene;1-ethyl-3-[2-(3-methylbutyl)phenyl]benzene;1-fluoro-2-(3-methylbutyl)benzene;3-methylbutylbenzene;[2-(3-methylbutyl)phenyl]methanol;[4-[2-(3-methylbutyl)phenyl]phenyl]methanamine;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;bis(1-methyl-3-(3-methylbutyl)benzene);bis(1-methyl-4-(3-methylbutyl)benzene);[4-methyl-2-(3-methylbutyl)phenyl]methanol
CID 158131396
Bis(1-chloro-2-methyl-4-propan-2-ylbenzene);tris(4-chloro-2-methyl-1-propan-2-ylbenzene);1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);4-propan-2-ylphenol;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158605222
Bis(4-chloro-2-methyl-1-propan-2-ylbenzene);1-chloro-4-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;1-fluoro-2-methyl-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);4-propan-2-ylphenol;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158674135
Bis(1-chloro-2-methyl-4-propan-2-ylbenzene);tris(4-chloro-2-methyl-1-propan-2-ylbenzene);1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);4-propan-2-ylphenol;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158811081
4-Chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tetrakis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);4-propan-2-ylphenol;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158870093
2-Tert-butyl-4-chloro-1-methylbenzene;1-tert-butyl-2-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;1-tert-butyl-3-fluorobenzene;2-tert-butyl-4-fluoro-1-methylbenzene;bis(2-tert-butyl-1-methyl-4-(trifluoromethyl)benzene);1-tert-butyl-3-(trifluoromethyl)benzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);4-methoxy-1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol
CID 159003997
1-chloro-2-fluoro-3-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;5-(difluoromethoxy)-1,3-difluoro-2-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,3-difluoro-2-propan-2-yl-5-(trifluoromethoxy)benzene;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
CID 159045489
1-chloro-2-fluoro-3-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;2-chloro-1-methyl-3-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethoxy)benzene;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;1-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
CID 159211321
4-(2-chlorophenyl)butan-1-amine;4-(3,5-dichlorophenyl)butan-1-amine;(E)-4-(3,5-dichlorophenyl)but-3-en-1-amine;4-(4-ethylphenyl)butan-1-amine;4-[4-(trifluoromethoxy)phenyl]butan-1-amine;(E)-4-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 159399483
1-Tert-butyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-difluoro-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;[2-propan-2-yl-4-(trifluoromethyl)phenyl]methanol;[2-propan-2-yl-5-(trifluoromethyl)phenyl]methanol
CID 159483071

Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene (CID 159530353) is bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1-c1ccc(CN)cc1.CC(C)c1ccccc1-c1ccc(F)c(F)c1.CC(C)c1ccccc1-c1ccc(F)cc1.CC(C)c1ccccc1-c1ccc(F)cc1.CC(C)c1ccccc1-c1cccc(CN)c1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CO.CC(C)c1ccccc1Cl.CC(C)c1ccccc1F.CCc1ccccc1C(C)C.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Cl.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is MCXLZCLNNAHBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19N.C15H14F2.2C15H15F.C15H16.C12H18.2C11H16.3C10H13Cl.C10H11F3.2C10H14O.4C10H14.C9H10Cl2.C9H11Cl.C9H11F.C9H12/c1-12(2)15-8-3-4-9-16(15)14-7-5-6-13(10-14)11-17;1-12(2)15-5-3-4-6-16(15)14-9-7-13(11-17)8-10-14;1-10(2)12-5-3-4-6-13(12)11-7-8-14(16)15(17)9-11;2*1-11(2)14-5-3-4-6-15(14)12-7-9-13(16)10-8-12;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)11-7-9(3)5-6-10(11)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)9-5-4-8(3)10(11)6-9;2*1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;2*1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9/h2*3-10,12H,11,17H2,1-2H3;3-10H,1-2H3;2*3-11H,1-2H3;3-12H,1-2H3;5-10H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;3*4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3.
What are the key properties of bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene?
bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 3900.20 g/mol, XLogP of 83.15, 35 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-4-methyl-2-propan-2-ylbenzene);2-chloro-1-methyl-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;1,2-difluoro-4-(2-propan-2-ylphenyl)benzene;1,4-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;bis(1-fluoro-4-(2-propan-2-ylphenyl)benzene);1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;(2-propan-2-ylphenyl)methanol;[3-(2-propan-2-ylphenyl)phenyl]methanamine;[4-(2-propan-2-ylphenyl)phenyl]methanamine;1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159530353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).