4-(1-hydroxypropyl)-2-methoxyphenol

• ChemBase ID: 118957
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: c1c(ccc(c1OC)O)C(O)CC
• Canonical SMILES: CCC(c1ccc(c(c1)OC)O)O
• InChI: InChI=1S/C10H14O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,8,11-12H,3H2,1-2H3
• InChIKey: HDHXMZVCZFGENR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-hydroxypropyl)-2-methoxyphenol
• IUPAC Traditional name: 4-(1-hydroxypropyl)-2-methoxyphenol
• Synonyms: 4-(1-hydroxypropyl)-2-methoxyphenol

Database IDs

• PubChem SID: 162107364
• PubChem CID: 3732967

CALCULATED PROPERTIES

• Acid pKa: 9.91132
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6837401
• LogD (pH = 7.4): 1.6824297
• Log P: 1.6837568
• Molar Refractivity: 50.2608 cm^3
• Polarizability: 19.591825 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds