4-(4-octylphenyl)cyclohexan-1-ol

C20H32O — CID 19863155

IUPAC4-(4-octylphenyl)cyclohexan-1-ol
SMILESCCCCCCCCc1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21)16-14-19/h9-12,19-21H,2-8,13-16H2,1H3
InChIKeyJHRMMUBPZHBXEC-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.61
Rot. Bonds8

About 4-(4-octylphenyl)cyclohexan-1-ol

4-(4-octylphenyl)cyclohexan-1-ol (PubChem CID 19863155) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-(4-octylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-octylphenyl)cyclohexan-1-ol
PubChem CID19863155
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name4-(4-octylphenyl)cyclohexan-1-ol
SMILESCCCCCCCCc1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21)16-14-19/h9-12,19-21H,2-8,13-16H2,1H3
InChIKeyJHRMMUBPZHBXEC-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
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 4-(4-octylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-octylphenyl)cyclohexan-1-ol (CID 19863155) is 4-(4-octylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-octylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-octylphenyl)cyclohexan-1-ol is CCCCCCCCc1ccc(C2CCC(O)CC2)cc1.
What is the InChIKey of 4-(4-octylphenyl)cyclohexan-1-ol?
The InChIKey is JHRMMUBPZHBXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(21)16-14-19/h9-12,19-21H,2-8,13-16H2,1H3.
What are the key properties of 4-(4-octylphenyl)cyclohexan-1-ol?
4-(4-octylphenyl)cyclohexan-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-octylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 19863155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).