{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol

• ChemBase ID: 312347
• Molecular Formular: C11H14O2
• Molecular Mass: 178.22766
• Monoisotopic Mass: 178.09937969
• SMILES: C(=C)(COc1cc(CO)ccc1)C
• Canonical SMILES: OCc1cccc(c1)OCC(=C)C
• InChI: InChI=1S/C11H14O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-6,12H,1,7-8H2,2H3
• InChIKey: RJOQHHOJBRMRTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
• IUPAC Traditional name: {3-[(2-methylprop-2-en-1-yl)oxy]phenyl}methanol
• Synonyms: {3-[(2-methyl-2-propen-1-yl)oxy]phenyl}methanol

Database IDs

• CAS Number: 38002-96-9
• MDL Number: MFCD08753013

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.022836
• LogD (pH = 7.4): 2.022836
• Log P: 2.022836
• Molar Refractivity: 52.7818 cm^3
• Polarizability: 20.588259 Å^3
• Polar Surface Area: 29.46 Å^2