9-(6-methoxynaphthalen-1-yl)-9H-xanthen-9-ol

• ChemBase ID: 181300
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: C1(c2c3c(cc(cc3)OC)ccc2)(c2c(Oc3c1cccc3)cccc2)O
• Canonical SMILES: COc1ccc2c(c1)cccc2C1(O)c2ccccc2Oc2c1cccc2
• InChI: InChI=1S/C24H18O3/c1-26-17-13-14-18-16(15-17)7-6-10-19(18)24(25)20-8-2-4-11-22(20)27-23-12-5-3-9-21(23)24/h2-15,25H,1H3
• InChIKey: MGWJJYDAWIQAPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(6-methoxynaphthalen-1-yl)-9H-xanthen-9-ol
• IUPAC Traditional name: 9-(6-methoxynaphthalen-1-yl)xanthen-9-ol

Database IDs

• PubChem SID: 164237210
• PubChem CID: 5235397

CALCULATED PROPERTIES

• LogD (pH = 5.5): 4.997225
• LogD (pH = 7.4): 4.99722
• Log P: 4.997225
• Molar Refractivity: 106.4077 cm^3
• Polarizability: 42.05549 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 12.357397
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds