6,7-dimethoxy-1,3-dihydrospiro[2-benzopyran-4,1'-cyclopentane]

• ChemBase ID: 180794
• Molecular Formular: C15H20O3
• Molecular Mass: 248.3175
• Monoisotopic Mass: 248.1412445
• SMILES: c12cc(c(cc1COCC12CCCC1)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)COCC12CCCC1
• InChI: InChI=1S/C15H20O3/c1-16-13-7-11-9-18-10-15(5-3-4-6-15)12(11)8-14(13)17-2/h7-8H,3-6,9-10H2,1-2H3
• InChIKey: NGBMJMTUPPXOHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-1,3-dihydrospiro[2-benzopyran-4,1'-cyclopentane]
• IUPAC Traditional name: 6,7-dimethoxy-1,3-dihydrospiro[2-benzopyran-4,1'-cyclopentane]

Database IDs

• PubChem SID: 164236704
• PubChem CID: 824675

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7419536
• LogD (pH = 7.4): 2.7419536
• Log P: 2.7419536
• Molar Refractivity: 70.1306 cm^3
• Polarizability: 27.4015 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds