Molecule

ID:119153

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₃
Molecular Mass
248.3175
Exact Mass
248.1412445
Charge
0
InChI
InChI=1S/C15H20O3/c1-14(2)11-15(8-9-18-14,10-13(16)17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)
InChIKey
VOWBSUAXGNNDGB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1(CCOC(C1)(C)C)c1ccccc1
Isomeric Smiles
C1(CC(=O)O)(CC(OCC1)(C)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.704748
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.658268
LogD (pH = 7.4)
-0.119495444
Log P
2.5172644
Molar Refractivity
69.5966
Polarizability
27.372952
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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