10-hydroxy-9-phenyloctadecanoic acid

• ChemBase ID: 108274
• Molecular Formular: C24H40O3
• Molecular Mass: 376.5726
• Monoisotopic Mass: 376.29774514
• SMILES: CCCCCCCCC(O)C(CCCCCCCC(=O)O)c1ccccc1
• Canonical SMILES: CCCCCCCCC(C(c1ccccc1)CCCCCCCC(=O)O)O
• InChI: InChI=1S/C24H40O3/c1-2-3-4-5-8-14-19-23(25)22(21-16-11-10-12-17-21)18-13-7-6-9-15-20-24(26)27/h10-12,16-17,22-23,25H,2-9,13-15,18-20H2,1H3,(H,26,27)
• InChIKey: QFCZQSXGMHCMFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-hydroxy-9-phenyloctadecanoic acid
• IUPAC Traditional name: 10-hydroxy-9-phenyloctadecanoic acid
• Synonyms: 9-(10)-HYDROXYPHENYLSTEARIC ACID

Database IDs

• PubChem SID: 162106131
• PubChem CID: 44135597

CALCULATED PROPERTIES

• Molar Refractivity: 112.5217 cm^3
• Polarizability: 44.539417 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false
• Acid pKa: 4.7685328
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 6.453071
• LogD (pH = 7.4): 4.6770186
• Log P: 7.257778

DETAILS

MP Biomedicals - 05206754

MP Biomedicals Rare Chemical collection