2H-chromen-3-ylmethanol

• ChemBase ID: 80750
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: O1c2ccccc2C=C(C1)CO
• Canonical SMILES: OCC1=Cc2c(OC1)cccc2
• InChI: InChI=1S/C10H10O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,11H,6-7H2
• InChIKey: UCIFNZYYNUQDAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-chromen-3-ylmethanol
• IUPAC Traditional name: 2H-chromen-3-ylmethanol
• Synonyms: 2H-chromen-3-ylmethanol

Database IDs

• CAS Number: 115822-61-2
• MDL Number: MFCD03659707
• PubChem SID: 162067870
• PubChem CID: 2776558

CALCULATED PROPERTIES

• Acid pKa: 15.0713
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1393076
• LogD (pH = 7.4): 1.1393076
• Log P: 1.1393076
• Molar Refractivity: 47.4511 cm^3
• Polarizability: 18.091152 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true