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

• ChemBase ID: 127428
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: C1Cc2ccccc2OC1c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1CCc2c(O1)cccc2
• InChI: InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2
• InChIKey: QOLIPNRNLBQTAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-3,4-dihydro-2H-1-benzopyran
• IUPAC Traditional name: flavan
• Synonyms: Flavan

Database IDs

• PubChem SID: 162221749
• PubChem CID: 94156
• Wikipedia Title: Flavan

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.084272
• LogD (pH = 7.4): 4.084272
• Log P: 4.084272
• Molar Refractivity: 64.7146 cm^3
• Polarizability: 25.36072 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true