4-pentylphenol

C11H16O — CID 26975

IUPAC4-pentylphenol
SMILESCCCCCc1ccc(O)cc1
InChIInChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
InChIKeyZNPSUQQXTRRSBM-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.12
Rot. Bonds4

About 4-pentylphenol

4-pentylphenol (PubChem CID 26975) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-pentylphenol.

Molecular Properties

Compound Name4-pentylphenol
PubChem CID26975
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-pentylphenol
SMILESCCCCCc1ccc(O)cc1
InChIInChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
InChIKeyZNPSUQQXTRRSBM-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.12
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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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393

Frequently Asked Questions

What is the IUPAC name of 4-pentylphenol?
The IUPAC name of 4-pentylphenol (CID 26975) is 4-pentylphenol.
What is the SMILES notation for 4-pentylphenol?
The canonical SMILES for 4-pentylphenol is CCCCCc1ccc(O)cc1.
What is the InChIKey of 4-pentylphenol?
The InChIKey is ZNPSUQQXTRRSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3.
What are the key properties of 4-pentylphenol?
4-pentylphenol has a molecular weight of 164.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylphenol is sourced from PubChem (CID 26975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).