Molecule

ID:125440

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀O₂
Molecular Mass
268.3502
Exact Mass
268.14632988
Charge
0
InChI
InChI=1S/C18H20O2/c1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h4-11,19-20H,1,12H2,2-3H3
InChIKey
MZLYLGGRVAFGBY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=C)CC(c1ccc(cc1)O)(C)C
Isomeric Smiles
Oc1ccc(cc1)C(CC(=C)c1ccc(O)cc1)(C)C
Calculated Properties
JChem
Acid pKa
9.434837
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.0121694
LogD (pH = 7.4)
5.0082474
Log P
5.0122194
Molar Refractivity
82.3088
Polarizability
31.968225
Polar Surface Area
40.46
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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