1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol

C20H24O — CID 60797806

IUPAC1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
SMILESCc1cccc(CC2(O)CCCCC2c2ccccc2)c1
InChIInChI=1S/C20H24O/c1-16-8-7-9-17(14-16)15-20(21)13-6-5-12-19(20)18-10-3-2-4-11-18/h2-4,7-11,14,19,21H,5-6,12-13,15H2,1H3
InChIKeyQSEPUTYUWPPZGO-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.63
Rot. Bonds3

About 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol

1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol (PubChem CID 60797806) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
PubChem CID60797806
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol
SMILESCc1cccc(CC2(O)CCCCC2c2ccccc2)c1
InChIInChI=1S/C20H24O/c1-16-8-7-9-17(14-16)15-20(21)13-6-5-12-19(20)18-10-3-2-4-11-18/h2-4,7-11,14,19,21H,5-6,12-13,15H2,1H3
InChIKeyQSEPUTYUWPPZGO-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735628
1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
CID 104801472
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60798196
4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65084703
1-[(3-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857000
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898
2-[1-hydroxy-2-(3-methylphenyl)cyclohexyl]ethyl 4-methylbenzenesulfonate
CID 54110756
1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
2-phenyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222408

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol (CID 60797806) is 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol is Cc1cccc(CC2(O)CCCCC2c2ccccc2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol?
The InChIKey is QSEPUTYUWPPZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-16-8-7-9-17(14-16)15-20(21)13-6-5-12-19(20)18-10-3-2-4-11-18/h2-4,7-11,14,19,21H,5-6,12-13,15H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol?
1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 60797806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).