1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene

C24H32 — CID 162009287

IUPAC1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene
SMILESCc1ccc(C(c2ccc(C)cc2)C2CC(C)C(C)C(C)C2)cc1
InChIInChI=1S/C24H32/c1-16-6-10-21(11-7-16)24(22-12-8-17(2)9-13-22)23-14-18(3)20(5)19(4)15-23/h6-13,18-20,23-24H,14-15H2,1-5H3
InChIKeyCXWHKFTZXASIJN-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.75
Rot. Bonds3

About 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene

1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene (PubChem CID 162009287) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene
PubChem CID162009287
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene
SMILESCc1ccc(C(c2ccc(C)cc2)C2CC(C)C(C)C(C)C2)cc1
InChIInChI=1S/C24H32/c1-16-6-10-21(11-7-16)24(22-12-8-17(2)9-13-22)23-14-18(3)20(5)19(4)15-23/h6-13,18-20,23-24H,14-15H2,1-5H3
InChIKeyCXWHKFTZXASIJN-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 64740235
N-methyl-1-(2-methylcyclopropyl)-1-(4-methylphenyl)methanamine
CID 43481824
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
propan-2-ylcyclobutane;1,4-xylene
CID 161065038

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene?
The IUPAC name of 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene (CID 162009287) is 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene is Cc1ccc(C(c2ccc(C)cc2)C2CC(C)C(C)C(C)C2)cc1.
What is the InChIKey of 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene?
The InChIKey is CXWHKFTZXASIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-16-6-10-21(11-7-16)24(22-12-8-17(2)9-13-22)23-14-18(3)20(5)19(4)15-23/h6-13,18-20,23-24H,14-15H2,1-5H3.
What are the key properties of 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene?
1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene has a molecular weight of 320.52 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylphenyl)-(3,4,5-trimethylcyclohexyl)methyl]benzene is sourced from PubChem (CID 162009287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).