[3-(butan-2-yloxy)phenyl]methanol

• ChemBase ID: 312341
• Molecular Formular: C11H16O2
• Molecular Mass: 180.24354
• Monoisotopic Mass: 180.11502975
• SMILES: c1(OC(CC)C)cc(CO)ccc1
• Canonical SMILES: CCC(Oc1cccc(c1)CO)C
• InChI: InChI=1S/C11H16O2/c1-3-9(2)13-11-6-4-5-10(7-11)8-12/h4-7,9,12H,3,8H2,1-2H3
• InChIKey: CEXNIEJIMVZIRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(butan-2-yloxy)phenyl]methanol
• IUPAC Traditional name: [3-(sec-butoxy)phenyl]methanol
• Synonyms: (3-sec-butoxyphenyl)methanol

Database IDs

• CAS Number: 915920-70-6
• MDL Number: MFCD08753012

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.34413
• LogD (pH = 7.4): 2.34413
• Log P: 2.34413
• Molar Refractivity: 53.0285 cm^3
• Polarizability: 20.826698 Å^3
• Polar Surface Area: 29.46 Å^2