Molecule

ID:120254

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₄
Molecular Mass
312.3597
Exact Mass
312.13615912
Charge
0
InChI
InChI=1S/C19H20O4/c1-12(2)23-19-7-5-4-6-14(19)17(21)11-18(22)15-10-13(3)8-9-16(15)20/h4-10,12,20H,11H2,1-3H3
InChIKey
ZZIMWUHCLFWAHE-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1C(=O)CC(=O)c1cc(C)ccc1O)C
Isomeric Smiles
c1(C(=O)CC(=O)c2c(OC(C)C)cccc2)c(ccc(c1)C)O
Calculated Properties
JChem
Acid pKa
9.240913
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.6528497
LogD (pH = 7.4)
4.6467147
Log P
4.652929
Molar Refractivity
89.2747
Polarizability
34.120735
Polar Surface Area
63.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
1-(2-hydroxy-5-methylphenyl)-3-(2-isopropoxyphenyl)propane-1,3-dione|1-(2-hydroxy-5-methylphenyl)-3-[2-(propan-2-yloxy)phenyl]propane-1,3-dione|1-(2-hydroxy-5-methylphenyl)-3-(2-isopropoxyphenyl)pro... | Molfinder