1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene

C263H383BrCl5F15N2O3S — CID 160947611

IUPAC1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(CS2=CC=CC2)CC1.CC(C)C1CCC(Cc2c(Cl)cccc2Cl)CC1.CC(C)C1CCC(Cc2cc(F)ccc2F)CC1.CC(C)C1CCC(Cc2ccc(Cl)cc2Cl)CC1.CC(C)C1CCC(Cc2ccc(F)c(F)c2F)CC1.CC(C)C1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1.CC(C)C1CCC(Cc2cccc(C(F)(F)F)c2)CC1.CC(C)C1CCC(Cc2cccc(Cl)c2F)CC1.CC(C)C1CCC(Cc2cccc(OC(F)(F)F)c2)CC1.CC(C)C1CCC(Cc2ccccc2Br)CC1.CC(C)C1CCC(Cc2ccccn2)CC1.CC(C)C1CCC(Cc2cccnc2)CC1.COc1cccc(CC2CCC(C(C)C)CC2)c1.Cc1cc(C)c(CC2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C19H30.2C18H28.2C17H23F3O.C17H23F3.C17H26O.C16H23Br.2C16H22Cl2.C16H22ClF.C16H21F3.C16H22F2.2C15H23N.C14H24S/c1-13(2)18-8-6-17(7-9-18)12-19-15(4)10-14(3)11-16(19)5;1-13(2)17-9-6-16(7-10-17)12-18-8-5-14(3)11-15(18)4;1-13(2)18-9-7-16(8-10-18)12-17-6-5-14(3)15(4)11-17;1-12(2)15-7-3-13(4-8-15)11-14-5-9-16(10-6-14)21-17(18,19)20;1-12(2)15-8-6-13(7-9-15)10-14-4-3-5-16(11-14)21-17(18,19)20;1-12(2)15-8-6-13(7-9-15)10-14-4-3-5-16(11-14)17(18,19)20;1-13(2)16-9-7-14(8-10-16)11-15-5-4-6-17(12-15)18-3;1-12(2)14-9-7-13(8-10-14)11-15-5-3-4-6-16(15)17;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18;1-11(2)13-8-6-12(7-9-13)10-14-15(17)4-3-5-16(14)18;1-11(2)13-8-6-12(7-9-13)10-14-4-3-5-15(17)16(14)18;1-10(2)12-5-3-11(4-6-12)9-13-7-8-14(17)16(19)15(13)18;1-11(2)13-5-3-12(4-6-13)9-14-10-15(17)7-8-16(14)18;1-12(2)15-7-5-13(6-8-15)10-14-4-3-9-16-11-14;1-12(2)14-8-6-13(7-9-14)11-15-5-3-4-10-16-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15/h10-11,13,17-18H,6-9,12H2,1-5H3;5,8,11,13,16-17H,6-7,9-10,12H2,1-4H3;5-6,11,13,16,18H,7-10,12H2,1-4H3;5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3;3-5,11-13,15H,6-10H2,1-2H3;3-5,11-13,15H,6-10H2,1-2H3;4-6,12-14,16H,7-11H2,1-3H3;3-6,12-14H,7-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;2*3-5,11-13H,6-10H2,1-2H3;7-8,10-12H,3-6,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-4,9,11-13,15H,5-8,10H2,1-2H3;3-5,10,12-14H,6-9,11H2,1-2H3;3-4,9,12-14H,5-8,10-11H2,1-2H3
InChIKeySVIAWRCTDNNDPV-UHFFFAOYSA-N
MW4195.17 g/mol
LogP83.10
Rot. Bonds51

About 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene

1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene (PubChem CID 160947611) has the molecular formula C263H383BrCl5F15N2O3S and a molecular weight of 4195.17 g/mol. Its IUPAC name is 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
PubChem CID160947611
Molecular FormulaC263H383BrCl5F15N2O3S
Molecular Weight4195.17 g/mol
Exact Mass4188.70
IUPAC Name1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCC(C)C1CCC(CS2=CC=CC2)CC1.CC(C)C1CCC(Cc2c(Cl)cccc2Cl)CC1.CC(C)C1CCC(Cc2cc(F)ccc2F)CC1.CC(C)C1CCC(Cc2ccc(Cl)cc2Cl)CC1.CC(C)C1CCC(Cc2ccc(F)c(F)c2F)CC1.CC(C)C1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1.CC(C)C1CCC(Cc2cccc(C(F)(F)F)c2)CC1.CC(C)C1CCC(Cc2cccc(Cl)c2F)CC1.CC(C)C1CCC(Cc2cccc(OC(F)(F)F)c2)CC1.CC(C)C1CCC(Cc2ccccc2Br)CC1.CC(C)C1CCC(Cc2ccccn2)CC1.CC(C)C1CCC(Cc2cccnc2)CC1.COc1cccc(CC2CCC(C(C)C)CC2)c1.Cc1cc(C)c(CC2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C19H30.2C18H28.2C17H23F3O.C17H23F3.C17H26O.C16H23Br.2C16H22Cl2.C16H22ClF.C16H21F3.C16H22F2.2C15H23N.C14H24S/c1-13(2)18-8-6-17(7-9-18)12-19-15(4)10-14(3)11-16(19)5;1-13(2)17-9-6-16(7-10-17)12-18-8-5-14(3)11-15(18)4;1-13(2)18-9-7-16(8-10-18)12-17-6-5-14(3)15(4)11-17;1-12(2)15-7-3-13(4-8-15)11-14-5-9-16(10-6-14)21-17(18,19)20;1-12(2)15-8-6-13(7-9-15)10-14-4-3-5-16(11-14)21-17(18,19)20;1-12(2)15-8-6-13(7-9-15)10-14-4-3-5-16(11-14)17(18,19)20;1-13(2)16-9-7-14(8-10-16)11-15-5-4-6-17(12-15)18-3;1-12(2)14-9-7-13(8-10-14)11-15-5-3-4-6-16(15)17;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18;1-11(2)13-8-6-12(7-9-13)10-14-15(17)4-3-5-16(14)18;1-11(2)13-8-6-12(7-9-13)10-14-4-3-5-15(17)16(14)18;1-10(2)12-5-3-11(4-6-12)9-13-7-8-14(17)16(19)15(13)18;1-11(2)13-5-3-12(4-6-13)9-14-10-15(17)7-8-16(14)18;1-12(2)15-7-5-13(6-8-15)10-14-4-3-9-16-11-14;1-12(2)14-8-6-13(7-9-14)11-15-5-3-4-10-16-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15/h10-11,13,17-18H,6-9,12H2,1-5H3;5,8,11,13,16-17H,6-7,9-10,12H2,1-4H3;5-6,11,13,16,18H,7-10,12H2,1-4H3;5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3;3-5,11-13,15H,6-10H2,1-2H3;3-5,11-13,15H,6-10H2,1-2H3;4-6,12-14,16H,7-11H2,1-3H3;3-6,12-14H,7-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;2*3-5,11-13H,6-10H2,1-2H3;7-8,10-12H,3-6,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-4,9,11-13,15H,5-8,10H2,1-2H3;3-5,10,12-14H,6-9,11H2,1-2H3;3-4,9,12-14H,5-8,10-11H2,1-2H3
InChIKeySVIAWRCTDNNDPV-UHFFFAOYSA-N
XLogP83.10
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds51
Heavy Atoms290
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004195.17
LogP ≤ 583.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The IUPAC name of 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene (CID 160947611) is 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene is CC(C)C1CCC(CS2=CC=CC2)CC1.CC(C)C1CCC(Cc2c(Cl)cccc2Cl)CC1.CC(C)C1CCC(Cc2cc(F)ccc2F)CC1.CC(C)C1CCC(Cc2ccc(Cl)cc2Cl)CC1.CC(C)C1CCC(Cc2ccc(F)c(F)c2F)CC1.CC(C)C1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1.CC(C)C1CCC(Cc2cccc(C(F)(F)F)c2)CC1.CC(C)C1CCC(Cc2cccc(Cl)c2F)CC1.CC(C)C1CCC(Cc2cccc(OC(F)(F)F)c2)CC1.CC(C)C1CCC(Cc2ccccc2Br)CC1.CC(C)C1CCC(Cc2ccccn2)CC1.CC(C)C1CCC(Cc2cccnc2)CC1.COc1cccc(CC2CCC(C(C)C)CC2)c1.Cc1cc(C)c(CC2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2CCC(C(C)C)CC2)cc1C.
What is the InChIKey of 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
The InChIKey is SVIAWRCTDNNDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30.2C18H28.2C17H23F3O.C17H23F3.C17H26O.C16H23Br.2C16H22Cl2.C16H22ClF.C16H21F3.C16H22F2.2C15H23N.C14H24S/c1-13(2)18-8-6-17(7-9-18)12-19-15(4)10-14(3)11-16(19)5;1-13(2)17-9-6-16(7-10-17)12-18-8-5-14(3)11-15(18)4;1-13(2)18-9-7-16(8-10-18)12-17-6-5-14(3)15(4)11-17;1-12(2)15-7-3-13(4-8-15)11-14-5-9-16(10-6-14)21-17(18,19)20;1-12(2)15-8-6-13(7-9-15)10-14-4-3-5-16(11-14)21-17(18,19)20;1-12(2)15-8-6-13(7-9-15)10-14-4-3-5-16(11-14)17(18,19)20;1-13(2)16-9-7-14(8-10-16)11-15-5-4-6-17(12-15)18-3;1-12(2)14-9-7-13(8-10-14)11-15-5-3-4-6-16(15)17;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15(17)10-16(14)18;1-11(2)13-8-6-12(7-9-13)10-14-15(17)4-3-5-16(14)18;1-11(2)13-8-6-12(7-9-13)10-14-4-3-5-15(17)16(14)18;1-10(2)12-5-3-11(4-6-12)9-13-7-8-14(17)16(19)15(13)18;1-11(2)13-5-3-12(4-6-13)9-14-10-15(17)7-8-16(14)18;1-12(2)15-7-5-13(6-8-15)10-14-4-3-9-16-11-14;1-12(2)14-8-6-13(7-9-14)11-15-5-3-4-10-16-15;1-12(2)14-7-5-13(6-8-14)11-15-9-3-4-10-15/h10-11,13,17-18H,6-9,12H2,1-5H3;5,8,11,13,16-17H,6-7,9-10,12H2,1-4H3;5-6,11,13,16,18H,7-10,12H2,1-4H3;5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3;3-5,11-13,15H,6-10H2,1-2H3;3-5,11-13,15H,6-10H2,1-2H3;4-6,12-14,16H,7-11H2,1-3H3;3-6,12-14H,7-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;2*3-5,11-13H,6-10H2,1-2H3;7-8,10-12H,3-6,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-4,9,11-13,15H,5-8,10H2,1-2H3;3-5,10,12-14H,6-9,11H2,1-2H3;3-4,9,12-14H,5-8,10-11H2,1-2H3.
What are the key properties of 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene?
1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene has a molecular weight of 4195.17 g/mol, XLogP of 83.10, 51 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-chloro-2-fluoro-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3-dichloro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,2-dimethyl-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dimethyl-1-[(4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(4-propan-2-ylcyclohexyl)methyl]benzene;2-[(4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(4-propan-2-ylcyclohexyl)methyl]-2H-thiophene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;1,2,3-trifluoro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene;1,3,5-trimethyl-2-[(4-propan-2-ylcyclohexyl)methyl]benzene is sourced from PubChem (CID 160947611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).