3-hexyl-5-methoxyphenol

C13H20O2 — CID 71319233

IUPAC3-hexyl-5-methoxyphenol
SMILESCCCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C13H20O2/c1-3-4-5-6-7-11-8-12(14)10-13(9-11)15-2/h8-10,14H,3-7H2,1-2H3
InChIKeyAQGNMKRJQKGKIK-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.52
Rot. Bonds6

About 3-hexyl-5-methoxyphenol

3-hexyl-5-methoxyphenol (PubChem CID 71319233) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-hexyl-5-methoxyphenol.

Molecular Properties

Compound Name3-hexyl-5-methoxyphenol
PubChem CID71319233
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-hexyl-5-methoxyphenol
SMILESCCCCCCc1cc(O)cc(OC)c1
InChIInChI=1S/C13H20O2/c1-3-4-5-6-7-11-8-12(14)10-13(9-11)15-2/h8-10,14H,3-7H2,1-2H3
InChIKeyAQGNMKRJQKGKIK-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hexyl-5-methoxyphenol 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 3-hexyl-5-methoxyphenol?
The IUPAC name of 3-hexyl-5-methoxyphenol (CID 71319233) is 3-hexyl-5-methoxyphenol.
What is the SMILES notation for 3-hexyl-5-methoxyphenol?
The canonical SMILES for 3-hexyl-5-methoxyphenol is CCCCCCc1cc(O)cc(OC)c1.
What is the InChIKey of 3-hexyl-5-methoxyphenol?
The InChIKey is AQGNMKRJQKGKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-6-7-11-8-12(14)10-13(9-11)15-2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 3-hexyl-5-methoxyphenol?
3-hexyl-5-methoxyphenol has a molecular weight of 208.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-methoxyphenol is sourced from PubChem (CID 71319233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).