7-phenyl-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol

• ChemBase ID: 183935
• Molecular Formular: C19H24O2
• Molecular Mass: 284.39266
• Monoisotopic Mass: 284.17763001
• SMILES: C123C(O1)(C(C1C(C2CCC1)O)c1ccccc1)CCCC3
• Canonical SMILES: OC1C2CCCC1C13C(C2c2ccccc2)(O3)CCCC1
• InChI: InChI=1S/C19H24O2/c20-17-14-9-6-10-15(17)18-11-4-5-12-19(18,21-18)16(14)13-7-2-1-3-8-13/h1-3,7-8,14-17,20H,4-6,9-12H2
• InChIKey: DNEOQBWZOLXNQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-phenyl-13-oxatetracyclo[6.4.1.1^2,^6.0^1,^8]tetradecan-14-ol
• IUPAC Traditional name: 7-phenyl-13-oxatetracyclo[6.4.1.1^2,^6.0^1,^8]tetradecan-14-ol

Database IDs

• PubChem SID: 164239845
• PubChem CID: 4296762

CALCULATED PROPERTIES

• Acid pKa: 14.574552
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3743691
• LogD (pH = 7.4): 3.3743691
• Log P: 3.3743691
• Molar Refractivity: 81.5284 cm^3
• Polarizability: 32.58817 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds