1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene

C30H36 — CID 59931361

IUPAC1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3c(C)cc(CCC4CCC(C)CC4)cc3C)cc2)cc1
InChIInChI=1S/C30H36/c1-21-5-9-25(10-6-21)11-12-26-19-23(3)30(24(4)20-26)29-17-15-28(16-18-29)27-13-7-22(2)8-14-27/h7-8,13-21,25H,5-6,9-12H2,1-4H3
InChIKeyJPZWFTITGIHPLH-UHFFFAOYSA-N
MW396.62 g/mol
LogP8.70
Rot. Bonds5

About 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene

1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene (PubChem CID 59931361) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene
PubChem CID59931361
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Name1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3c(C)cc(CCC4CCC(C)CC4)cc3C)cc2)cc1
InChIInChI=1S/C30H36/c1-21-5-9-25(10-6-21)11-12-26-19-23(3)30(24(4)20-26)29-17-15-28(16-18-29)27-13-7-22(2)8-14-27/h7-8,13-21,25H,5-6,9-12H2,1-4H3
InChIKeyJPZWFTITGIHPLH-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
1,3-bis(2-cyclopropylethyl)-5-methylbenzene
CID 170966116
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
5-[difluoro-[2-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]methoxy]-1,3-difluoro-2-(4-methylphenyl)benzene
CID 20705763
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium(3+)
CID 18720833
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium
CID 59931197
1,4-bis(4-methylcyclohexyl)benzene;1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene;1,2,3-trimethyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trimethyl-4-(4-methylphenyl)benzene
CID 159498675
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene (CID 59931361) is 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3c(C)cc(CCC4CCC(C)CC4)cc3C)cc2)cc1.
What is the InChIKey of 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene?
The InChIKey is JPZWFTITGIHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36/c1-21-5-9-25(10-6-21)11-12-26-19-23(3)30(24(4)20-26)29-17-15-28(16-18-29)27-13-7-22(2)8-14-27/h7-8,13-21,25H,5-6,9-12H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene?
1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene has a molecular weight of 396.62 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 59931361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).