2-methoxy-5-(prop-2-en-1-yl)phenol

• ChemBase ID: 119200
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c1(c(ccc(c1)CC=C)OC)O
• Canonical SMILES: C=CCc1ccc(c(c1)O)OC
• InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7,11H,1,4H2,2H3
• InChIKey: NPBVQXIMTZKSBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(prop-2-en-1-yl)phenol
• IUPAC Traditional name: chavibetol
• Synonyms: 5-allyl-2-methoxyphenol; 5-Allylguaiacol; m-Eugenol; meta-Eugenol; 5-Allyl-2-methoxyphenol; Chavibetol

Database IDs

• CAS Number: 501-19-9
• PubChem SID: 162103172
• PubChem CID: 596375
• CHEMBL: 259093
• Chemspider ID: 518422
• Wikipedia Title: Chavibetol

CALCULATED PROPERTIES

• Acid pKa: 9.890978
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6105623
• LogD (pH = 7.4): 2.6091893
• Log P: 2.61058
• Molar Refractivity: 48.7894 cm^3
• Polarizability: 18.73316 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 254°C
• Density: 1.06 g/cm^3

Product Information

• Classification: Genuine Natural Compounds