2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene

C29H34 — CID 59931336

IUPAC2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(C)c2)cc1
InChIInChI=1S/C29H34/c1-21-4-8-24(9-5-21)10-11-25-12-19-29(23(3)20-25)28-17-15-27(16-18-28)26-13-6-22(2)7-14-26/h4-5,8-9,12,15-20,22,26H,6-7,10-11,13-14H2,1-3H3
InChIKeyQOYOFIGHYLKYTM-UHFFFAOYSA-N
MW382.59 g/mol
LogP8.05
Rot. Bonds5

About 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene

2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene (PubChem CID 59931336) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
PubChem CID59931336
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
SMILESCc1ccc(CCc2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(C)c2)cc1
InChIInChI=1S/C29H34/c1-21-4-8-24(9-5-21)10-11-25-12-19-29(23(3)20-25)28-17-15-27(16-18-28)26-13-6-22(2)7-14-26/h4-5,8-9,12,15-20,22,26H,6-7,10-11,13-14H2,1-3H3
InChIKeyQOYOFIGHYLKYTM-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene
CID 59931400
1-[4-(4-cyclopropylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 142025209
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene
CID 59931371
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
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene
CID 143942561
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
The IUPAC name of 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene (CID 59931336) is 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene.
What is the SMILES notation for 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
The canonical SMILES for 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene is Cc1ccc(CCc2ccc(-c3ccc(C4CCC(C)CC4)cc3)c(C)c2)cc1.
What is the InChIKey of 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
The InChIKey is QOYOFIGHYLKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34/c1-21-4-8-24(9-5-21)10-11-25-12-19-29(23(3)20-25)28-17-15-27(16-18-28)26-13-6-22(2)7-14-26/h4-5,8-9,12,15-20,22,26H,6-7,10-11,13-14H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene?
2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene has a molecular weight of 382.59 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 59931336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).