2-(hydroxymethyl)-3-pentylphenol

C12H18O2 — CID 132961839

IUPAC2-(hydroxymethyl)-3-pentylphenol
SMILESCCCCCc1cccc(O)c1CO
InChIInChI=1S/C12H18O2/c1-2-3-4-6-10-7-5-8-12(14)11(10)9-13/h5,7-8,13-14H,2-4,6,9H2,1H3
InChIKeyBVZSJLRAINTEAD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds5

About 2-(hydroxymethyl)-3-pentylphenol

2-(hydroxymethyl)-3-pentylphenol (PubChem CID 132961839) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-pentylphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-pentylphenol
PubChem CID132961839
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(hydroxymethyl)-3-pentylphenol
SMILESCCCCCc1cccc(O)c1CO
InChIInChI=1S/C12H18O2/c1-2-3-4-6-10-7-5-8-12(14)11(10)9-13/h5,7-8,13-14H,2-4,6,9H2,1H3
InChIKeyBVZSJLRAINTEAD-UHFFFAOYSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-3-pentylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-pentylphenol?
The IUPAC name of 2-(hydroxymethyl)-3-pentylphenol (CID 132961839) is 2-(hydroxymethyl)-3-pentylphenol.
What is the SMILES notation for 2-(hydroxymethyl)-3-pentylphenol?
The canonical SMILES for 2-(hydroxymethyl)-3-pentylphenol is CCCCCc1cccc(O)c1CO.
What is the InChIKey of 2-(hydroxymethyl)-3-pentylphenol?
The InChIKey is BVZSJLRAINTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-6-10-7-5-8-12(14)11(10)9-13/h5,7-8,13-14H,2-4,6,9H2,1H3.
What are the key properties of 2-(hydroxymethyl)-3-pentylphenol?
2-(hydroxymethyl)-3-pentylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-pentylphenol is sourced from PubChem (CID 132961839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).