8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-one

• ChemBase ID: 84748
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: O=C1Cc2c(cccc2CC1)O
• Canonical SMILES: O=C1CCc2c(C1)c(O)ccc2
• InChI: InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-3,12H,4-6H2
• InChIKey: NDUSBJBOSIRESA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-one
• IUPAC Traditional name: 8-hydroxy-3,4-dihydro-1H-naphthalen-2-one
• Synonyms: 8-hydroxy-3,4-dihydronaphthalen-2(1H)-one

Database IDs

• MDL Number: MFCD01314169
• PubChem SID: 162071864
• PubChem CID: 577766

CALCULATED PROPERTIES

• Acid pKa: 9.228029
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9426363
• LogD (pH = 7.4): 1.9363507
• Log P: 1.942717
• Molar Refractivity: 46.1625 cm^3
• Polarizability: 17.63453 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true