1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene

C21H26 — CID 54434064

IUPAC1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
SMILESCc1ccc(C2(c3ccc(C)cc3)CCC(C)CC2)cc1
InChIInChI=1S/C21H26/c1-16-4-8-19(9-5-16)21(14-12-18(3)13-15-21)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3
InChIKeyWJMUOKDHBQRTGI-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.80
Rot. Bonds2

About 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene

1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene (PubChem CID 54434064) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
PubChem CID54434064
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
SMILESCc1ccc(C2(c3ccc(C)cc3)CCC(C)CC2)cc1
InChIInChI=1S/C21H26/c1-16-4-8-19(9-5-16)21(14-12-18(3)13-15-21)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3
InChIKeyWJMUOKDHBQRTGI-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 19891768
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 129067747
4,4-bis(4-methylphenyl)cyclohexan-1-one
CID 58095705
4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
CID 149126952
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;bis(1,4-xylene)
CID 160768491
N,N-dimethyl-4-[4-methyl-1-(3-methylphenyl)cyclohexyl]benzamide
CID 21307110
1-(4-methylphenyl)bicyclo[2.2.2]octane
CID 58390113
1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 103452282
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 87837292

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene?
The IUPAC name of 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene (CID 54434064) is 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene is Cc1ccc(C2(c3ccc(C)cc3)CCC(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene?
The InChIKey is WJMUOKDHBQRTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-16-4-8-19(9-5-16)21(14-12-18(3)13-15-21)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3.
What are the key properties of 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene?
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene has a molecular weight of 278.44 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 54434064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).