2-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-4H-chromene

• ChemBase ID: 193428
• Molecular Formular: C24H22O3
• Molecular Mass: 358.42968
• Monoisotopic Mass: 358.15689456
• SMILES: C1(=CC(c2c(O1)cccc2)c1cc(OC)ccc1)c1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)C1=CC(c2c(O1)cccc2)c1cccc(c1)OC
• InChI: InChI=1S/C24H22O3/c1-3-26-19-13-11-17(12-14-19)24-16-22(18-7-6-8-20(15-18)25-2)21-9-4-5-10-23(21)27-24/h4-16,22H,3H2,1-2H3
• InChIKey: FBCQMTBRYVJMGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-4H-chromene
• IUPAC Traditional name: 2-(4-ethoxyphenyl)-4-(3-methoxyphenyl)-4H-chromene

Database IDs

• PubChem SID: 164249338
• PubChem CID: 4315505

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.214304
• LogD (pH = 7.4): 5.214304
• Log P: 5.214304
• Molar Refractivity: 108.5266 cm^3
• Polarizability: 41.71351 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds