4-methoxy-2-(prop-2-en-1-yl)phenol

• ChemBase ID: 241484
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c1(c(ccc(c1)OC)O)CC=C
• Canonical SMILES: C=CCc1cc(OC)ccc1O
• InChI: InChI=1S/C10H12O2/c1-3-4-8-7-9(12-2)5-6-10(8)11/h3,5-7,11H,1,4H2,2H3
• InChIKey: HINCKJDFBMTHPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-2-(prop-2-en-1-yl)phenol
• IUPAC Traditional name: 4-methoxy-2-(prop-2-en-1-yl)phenol
• Synonyms: 2-allyl-4-methoxyphenol

Database IDs

• CAS Number: 584-82-7
• MDL Number: MFCD00996134
• PubChem SID: 164297394
• PubChem CID: 346056

CALCULATED PROPERTIES

• Acid pKa: 9.739352
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6105552
• LogD (pH = 7.4): 2.6086075
• Log P: 2.61058
• Molar Refractivity: 48.7894 cm^3
• Polarizability: 18.730862 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.597

Product Information

• Purity: 95%