1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene

C24H30 — CID 123342041

IUPAC1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene
SMILESCc1ccc(CC2CCC(C3CC3c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H30/c1-17-3-7-19(8-4-17)15-20-9-13-22(14-10-20)24-16-23(24)21-11-5-18(2)6-12-21/h3-8,11-12,20,22-24H,9-10,13-16H2,1-2H3
InChIKeyLBDIDWHLJHYTEK-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.46
Rot. Bonds4

About 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene

1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene (PubChem CID 123342041) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene
PubChem CID123342041
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene
SMILESCc1ccc(CC2CCC(C3CC3c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H30/c1-17-3-7-19(8-4-17)15-20-9-13-22(14-10-20)24-16-23(24)21-11-5-18(2)6-12-21/h3-8,11-12,20,22-24H,9-10,13-16H2,1-2H3
InChIKeyLBDIDWHLJHYTEK-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene?
The IUPAC name of 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene (CID 123342041) is 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene is Cc1ccc(CC2CCC(C3CC3c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene?
The InChIKey is LBDIDWHLJHYTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-17-3-7-19(8-4-17)15-20-9-13-22(14-10-20)24-16-23(24)21-11-5-18(2)6-12-21/h3-8,11-12,20,22-24H,9-10,13-16H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene?
1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene has a molecular weight of 318.50 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-[2-(4-methylphenyl)cyclopropyl]cyclohexyl]methyl]benzene is sourced from PubChem (CID 123342041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).