2-octyl-4-phenylcyclohexan-1-ol

C20H32O — CID 63461451

IUPAC2-octyl-4-phenylcyclohexan-1-ol
SMILESCCCCCCCCC1CC(c2ccccc2)CCC1O
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-8-13-19-16-18(14-15-20(19)21)17-11-9-7-10-12-17/h7,9-12,18-21H,2-6,8,13-16H2,1H3
InChIKeyKEWUWIKWHQWZSB-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.68
Rot. Bonds8

About 2-octyl-4-phenylcyclohexan-1-ol

2-octyl-4-phenylcyclohexan-1-ol (PubChem CID 63461451) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-octyl-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-octyl-4-phenylcyclohexan-1-ol
PubChem CID63461451
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-octyl-4-phenylcyclohexan-1-ol
SMILESCCCCCCCCC1CC(c2ccccc2)CCC1O
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-8-13-19-16-18(14-15-20(19)21)17-11-9-7-10-12-17/h7,9-12,18-21H,2-6,8,13-16H2,1H3
InChIKeyKEWUWIKWHQWZSB-UHFFFAOYSA-N
XLogP5.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-octyl-4-phenylcyclohexan-1-ol?
The IUPAC name of 2-octyl-4-phenylcyclohexan-1-ol (CID 63461451) is 2-octyl-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-octyl-4-phenylcyclohexan-1-ol?
The canonical SMILES for 2-octyl-4-phenylcyclohexan-1-ol is CCCCCCCCC1CC(c2ccccc2)CCC1O.
What is the InChIKey of 2-octyl-4-phenylcyclohexan-1-ol?
The InChIKey is KEWUWIKWHQWZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-2-3-4-5-6-8-13-19-16-18(14-15-20(19)21)17-11-9-7-10-12-17/h7,9-12,18-21H,2-6,8,13-16H2,1H3.
What are the key properties of 2-octyl-4-phenylcyclohexan-1-ol?
2-octyl-4-phenylcyclohexan-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 63461451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).