6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one

• ChemBase ID: 209755
• Molecular Formular: C23H22O3
• Molecular Mass: 346.41898
• Monoisotopic Mass: 346.15689456
• SMILES: c1(c2c(oc(=O)c1)cc1OC3(CCc1c2)CCCCC3)c1ccccc1
• Canonical SMILES: O=c1oc2cc3OC4(CCCCC4)CCc3cc2c(c1)c1ccccc1
• InChI: InChI=1S/C23H22O3/c24-22-14-18(16-7-3-1-4-8-16)19-13-17-9-12-23(10-5-2-6-11-23)26-20(17)15-21(19)25-22/h1,3-4,7-8,13-15H,2,5-6,9-12H2
• InChIKey: IHOKQPFZZUFGFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one
• IUPAC Traditional name: 6'-phenyl-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one

Database IDs

• PubChem SID: 164265665
• PubChem CID: 1787550

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.266383
• LogD (pH = 7.4): 5.266383
• Log P: 5.266383
• Molar Refractivity: 110.3789 cm^3
• Polarizability: 39.161728 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds