4-(4-pentylcyclohexyl)phenol

C17H26O — CID 4593765

IUPAC4-(4-pentylcyclohexyl)phenol
SMILESCCCCCC1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15,18H,2-9H2,1H3
InChIKeyQRAZRBGYBYIGRL-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.25
Rot. Bonds5

About 4-(4-pentylcyclohexyl)phenol

4-(4-pentylcyclohexyl)phenol (PubChem CID 4593765) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 4-(4-pentylcyclohexyl)phenol.

Molecular Properties

Compound Name4-(4-pentylcyclohexyl)phenol
PubChem CID4593765
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name4-(4-pentylcyclohexyl)phenol
SMILESCCCCCC1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15,18H,2-9H2,1H3
InChIKeyQRAZRBGYBYIGRL-UHFFFAOYSA-N
XLogP5.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.25
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-pentylcyclohexyl)phenol?
The IUPAC name of 4-(4-pentylcyclohexyl)phenol (CID 4593765) is 4-(4-pentylcyclohexyl)phenol.
What is the SMILES notation for 4-(4-pentylcyclohexyl)phenol?
The canonical SMILES for 4-(4-pentylcyclohexyl)phenol is CCCCCC1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-pentylcyclohexyl)phenol?
The InChIKey is QRAZRBGYBYIGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15,18H,2-9H2,1H3.
What are the key properties of 4-(4-pentylcyclohexyl)phenol?
4-(4-pentylcyclohexyl)phenol has a molecular weight of 246.39 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylcyclohexyl)phenol is sourced from PubChem (CID 4593765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).