9-(4-methoxynaphthalen-1-yl)-9H-xanthen-9-ol

• ChemBase ID: 183607
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: C1(c2c3c(c(cc2)OC)cccc3)(c2c(Oc3c1cccc3)cccc2)O
• Canonical SMILES: COc1ccc(c2c1cccc2)C1(O)c2ccccc2Oc2c1cccc2
• InChI: InChI=1S/C24H18O3/c1-26-21-15-14-18(16-8-2-3-9-17(16)21)24(25)19-10-4-6-12-22(19)27-23-13-7-5-11-20(23)24/h2-15,25H,1H3
• InChIKey: NVYAYLFUCATPNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(4-methoxynaphthalen-1-yl)-9H-xanthen-9-ol
• IUPAC Traditional name: 9-(4-methoxynaphthalen-1-yl)xanthen-9-ol

Database IDs

• PubChem SID: 164239517
• PubChem CID: 4588033

CALCULATED PROPERTIES

• Acid pKa: 12.371071
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.997225
• LogD (pH = 7.4): 4.9972205
• Log P: 4.997225
• Molar Refractivity: 106.4077 cm^3
• Polarizability: 42.05945 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds