2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol

• ChemBase ID: 207951
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: c1(c(ccc(c1)/C=C/C)OC)O
• Canonical SMILES: C/C=C/c1ccc(c(c1)O)OC
• InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3-7,11H,1-2H3/b4-3+
• InChIKey: LHJZSWVADJCBNI-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol
• IUPAC Traditional name: 2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol

Database IDs

• PubChem SID: 164263861
• PubChem CID: 1781947

CALCULATED PROPERTIES

• Acid pKa: 9.856368
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6353273
• LogD (pH = 7.4): 2.6338406
• Log P: 2.6353462
• Molar Refractivity: 49.8619 cm^3
• Polarizability: 18.808788 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds