Molecule

ID:16739

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3
InChIKey
JTTIGLYPLMYHAT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cc1)C=O
Isomeric Smiles
c1(c2ccc(C=O)cc2)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1753023
LogD (pH = 7.4)
3.1753023
Log P
3.1753023
Molar Refractivity
64.2414
Polarizability
25.74642
Polar Surface Area
26.3
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
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 52988-34-8|4-(4-methoxyphenyl)benzaldehyde|4'-Methoxy[1,1'-biphenyl]-4-carbaldehyde|4-(4-methoxyphenyl)benzaldehyde|4-(4-Methoxyphenyl)benzaldehyde|4-Formyl-4'-methoxybiphenyl|4-(4-Formylphenyl)... | Molfinder