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

• ChemBase ID: 261809
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: c12OCCCc1cccc2
• Canonical SMILES: C1CCc2c(O1)cccc2
• InChI: InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2
• InChIKey: VZWXIQHBIQLMPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dihydro-2H-1-benzopyran
• IUPAC Traditional name: chroman
• Synonyms: 3,4-dihydro-2H-1-benzopyran

Database IDs

• MDL Number: MFCD00138123
• PubChem SID: 164317719
• PubChem CID: 136319

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3000317
• LogD (pH = 7.4): 2.3000317
• Log P: 2.3000317
• Molar Refractivity: 40.4318 cm^3
• Polarizability: 15.73218 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.605

Product Information

• Purity: 95%