4-(1-hydroxypropyl)phenol

• ChemBase ID: 273498
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: c1(ccc(cc1)O)C(O)CC
• Canonical SMILES: CCC(c1ccc(cc1)O)O
• InChI: InChI=1S/C9H12O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9-11H,2H2,1H3
• InChIKey: WEKMUBUZJDWJIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08443339
• PubChem SID: 164329408
• PubChem CID: 13055557

CALCULATED PROPERTIES

• Acid pKa: 9.472703
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8413821
• LogD (pH = 7.4): 1.8377914
• Log P: 1.8414282
• Molar Refractivity: 43.7976 cm^3
• Polarizability: 17.067518 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): 1.275

Product Information

• Purity: 95%