4-phenyl-3,6-dihydro-2H-pyran

• ChemBase ID: 63552
• Molecular Formular: C11H12O
• Molecular Mass: 160.21238
• Monoisotopic Mass: 160.088815
• SMILES: c1(C2=CCOCC2)ccccc1
• Canonical SMILES: O1CCC(=CC1)c1ccccc1
• InChI: InChI=1S/C11H12O/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6H,7-9H2
• InChIKey: LXEIQOMFEYLGSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-3,6-dihydro-2H-pyran
• IUPAC Traditional name: 4-phenyl-3,6-dihydro-2H-pyran
• Synonyms: 4-Phenyl-5,6-dihydro-2H-pyran

Database IDs

• CAS Number: 3174-81-0
• MDL Number: MFCD18432773
• PubChem SID: 162029291
• PubChem CID: 12381642

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2848
• LogD (pH = 7.4): 2.2848
• Log P: 2.2848
• Molar Refractivity: 50.4941 cm^3
• Polarizability: 19.360687 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%