2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol

C26H34O — CID 175318252

IUPAC2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol
SMILESCc1cc(O)c(C2CCCCC2)cc1Cc1cccc(C2CCCCC2)c1
InChIInChI=1S/C26H34O/c1-19-15-26(27)25(22-12-6-3-7-13-22)18-24(19)17-20-9-8-14-23(16-20)21-10-4-2-5-11-21/h8-9,14-16,18,21-22,27H,2-7,10-13,17H2,1H3
InChIKeySVNHCJDSJIICRZ-UHFFFAOYSA-N
MW362.56 g/mol
LogP7.39
Rot. Bonds4

About 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol

2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol (PubChem CID 175318252) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol
PubChem CID175318252
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol
SMILESCc1cc(O)c(C2CCCCC2)cc1Cc1cccc(C2CCCCC2)c1
InChIInChI=1S/C26H34O/c1-19-15-26(27)25(22-12-6-3-7-13-22)18-24(19)17-20-9-8-14-23(16-20)21-10-4-2-5-11-21/h8-9,14-16,18,21-22,27H,2-7,10-13,17H2,1H3
InChIKeySVNHCJDSJIICRZ-UHFFFAOYSA-N
XLogP7.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol?
The IUPAC name of 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol (CID 175318252) is 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol.
What is the SMILES notation for 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol?
The canonical SMILES for 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol is Cc1cc(O)c(C2CCCCC2)cc1Cc1cccc(C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol?
The InChIKey is SVNHCJDSJIICRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O/c1-19-15-26(27)25(22-12-6-3-7-13-22)18-24(19)17-20-9-8-14-23(16-20)21-10-4-2-5-11-21/h8-9,14-16,18,21-22,27H,2-7,10-13,17H2,1H3.
What are the key properties of 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol?
2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol has a molecular weight of 362.56 g/mol, XLogP of 7.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol is sourced from PubChem (CID 175318252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).