3,4-dihydro-2H-1-benzopyran-2-ylmethanol

• ChemBase ID: 77280
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: O1c2ccccc2CCC1CO
• Canonical SMILES: OCC1CCc2c(O1)cccc2
• InChI: InChI=1S/C10H12O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,11H,5-7H2
• InChIKey: KDLVSGWUKFJFTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydro-2H-1-benzopyran-2-ylmethanol; (3,4-dihydro-2H-1-benzopyran-2-yl)methanol
• IUPAC Traditional name: 3,4-dihydro-2H-1-benzopyran-2-ylmethanol
• Synonyms: (3,4-Dihydro-2H-chromen-2-yl)methanol; (3,4-Dihydro-2H-1-benzopyran-2-yl)methanol; 2-(Hydroxymethyl)chroman 97%; 3,4-dihydro-2H-chromen-2-ylmethanol; (3,4-Dihydro-2H-chroMen-2-yl)Methanol

Database IDs

• CAS Number: 83278-86-8
• MDL Number: MFCD06658990
• PubChem SID: 162042153
• PubChem CID: 2794816

CALCULATED PROPERTIES

• Acid pKa: 14.658322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6696968
• LogD (pH = 7.4): 1.6696968
• Log P: 1.6696968
• Molar Refractivity: 46.3943 cm^3
• Polarizability: 18.181398 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%