2-methoxy-4-[(1R,5R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

• ChemBase ID: 185492
• Molecular Formular: C18H24O3
• Molecular Mass: 288.38136
• Monoisotopic Mass: 288.17254463
• SMILES: C1(=CC([C@@H]2C([C@H]1C(OC2)c1cc(c(cc1)O)OC)C)C)C
• Canonical SMILES: COc1cc(ccc1O)C1OC[C@H]2C([C@@H]1C(=CC2C)C)C
• InChI: InChI=1S/C18H24O3/c1-10-7-11(2)17-12(3)14(10)9-21-18(17)13-5-6-15(19)16(8-13)20-4/h5-8,10,12,14,17-19H,9H2,1-4H3/t10?,12?,14-,17+,18?/m1/s1
• InChIKey: SOHWVJPJRLXISV-MGPPGIEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-[(1R,5R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
• IUPAC Traditional name: 2-methoxy-4-[(1R,5R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

Database IDs

• PubChem SID: 164241402
• PubChem CID: 16396312

CALCULATED PROPERTIES

• Acid pKa: 9.910528
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4641685
• LogD (pH = 7.4): 3.4628558
• Log P: 3.4641855
• Molar Refractivity: 84.1192 cm^3
• Polarizability: 32.695393 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds