2-[(2R)-2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]phenol

• ChemBase ID: 180593
• Molecular Formular: C16H22O
• Molecular Mass: 230.34528
• Monoisotopic Mass: 230.16706532
• SMILES: [C@]1(C(C2CC1CC2)(C)C)(c1c(O)cccc1)C
• Canonical SMILES: Oc1ccccc1[C@]1(C)C2CCC(C1(C)C)C2
• InChI: InChI=1S/C16H22O/c1-15(2)11-8-9-12(10-11)16(15,3)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3/t11?,12?,16-/m0/s1
• InChIKey: LIZPVLROUSCWGB-PPUFBPAQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R)-2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]phenol
• IUPAC Traditional name: 2-[(2R)-2,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]phenol

Database IDs

• PubChem SID: 164236503
• PubChem CID: 16395012

CALCULATED PROPERTIES

• Acid pKa: 10.563394
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.337523
• LogD (pH = 7.4): 4.33723
• Log P: 4.337527
• Molar Refractivity: 70.4233 cm^3
• Polarizability: 27.83957 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds