4-(3-hydroxypropyl)-2-methoxyphenol

• ChemBase ID: 304114
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: c1(c(ccc(c1)CCCO)O)OC
• Canonical SMILES: OCCCc1ccc(c(c1)OC)O
• InChI: InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
• InChIKey: MWOMNLDJNQWJMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-hydroxypropyl)-2-methoxyphenol
• IUPAC Traditional name: dihydroconiferyl alcohol
• Synonyms: Dihydroconiferyl alcohol

Database IDs

• CAS Number: 2305-13-7

CALCULATED PROPERTIES

• Acid pKa: 10.278286
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4778821
• LogD (pH = 7.4): 1.4773185
• Log P: 1.4778893
• Molar Refractivity: 50.674 cm^3
• Polarizability: 19.52137 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil