(2-butoxyphenyl)methanol

• ChemBase ID: 262881
• Molecular Formular: C11H16O2
• Molecular Mass: 180.24354
• Monoisotopic Mass: 180.11502975
• SMILES: c1(c(OCCCC)cccc1)CO
• Canonical SMILES: CCCCOc1ccccc1CO
• InChI: InChI=1S/C11H16O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,12H,2-3,8-9H2,1H3
• InChIKey: XHMKGDUAGDFSHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-butoxyphenyl)methanol
• IUPAC Traditional name: (2-butoxyphenyl)methanol
• Synonyms: (2-butoxyphenyl)methanol

Database IDs

• MDL Number: MFCD01664435
• PubChem SID: 164318791
• PubChem CID: 23014

CALCULATED PROPERTIES

• Acid pKa: 14.706418
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3721237
• LogD (pH = 7.4): 2.3721237
• Log P: 2.3721237
• Molar Refractivity: 53.2107 cm^3
• Polarizability: 20.827139 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.61

Product Information

• Purity: 95%