furan-2-yl(phenyl)methanol

• ChemBase ID: 259778
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: c1(C(c2ccccc2)O)occc1
• Canonical SMILES: OC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C11H10O2/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8,11-12H
• InChIKey: FWIQIDYJWKRMFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-yl(phenyl)methanol
• IUPAC Traditional name: furan-2-yl(phenyl)methanol
• Synonyms: furan-2-yl(phenyl)methanol

Database IDs

• CAS Number: 4484-57-5
• MDL Number: MFCD00484103
• PubChem SID: 164315688
• PubChem CID: 3746348

CALCULATED PROPERTIES

• Acid pKa: 12.724803
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0503829
• LogD (pH = 7.4): 2.050381
• Log P: 2.0503829
• Molar Refractivity: 49.5476 cm^3
• Polarizability: 19.234081 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.628

Product Information

• Purity: 95%