[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]methanol

• ChemBase ID: 312367
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: c1(c(CO)cccc1OC)OCC=C
• Canonical SMILES: C=CCOc1c(CO)cccc1OC
• InChI: InChI=1S/C11H14O3/c1-3-7-14-11-9(8-12)5-4-6-10(11)13-2/h3-6,12H,1,7-8H2,2H3
• InChIKey: ZWHFLHKQVLGBBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-methoxy-2-(prop-2-en-1-yloxy)phenyl]methanol
• IUPAC Traditional name: [3-methoxy-2-(prop-2-en-1-yloxy)phenyl]methanol
• Synonyms: [2-(allyloxy)-3-methoxyphenyl]methanol

Database IDs

• CAS Number: 915923-18-1
• MDL Number: MFCD08753016

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6218033
• LogD (pH = 7.4): 1.6218033
• Log P: 1.6218033
• Molar Refractivity: 54.963 cm^3
• Polarizability: 21.259647 Å^3
• Polar Surface Area: 38.69 Å^2