1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone

C15H12F2O2 — CID 139791589

IUPAC1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O2/c1-9(18)12-5-4-11(19-2)8-13(12)10-3-6-14(16)15(17)7-10/h3-8H,1-2H3
InChIKeyBZBBOUYTQXEHOI-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.84
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone

1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone (PubChem CID 139791589) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
PubChem CID139791589
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O2/c1-9(18)12-5-4-11(19-2)8-13(12)10-3-6-14(16)15(17)7-10/h3-8H,1-2H3
InChIKeyBZBBOUYTQXEHOI-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
CID 175647166
1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone
CID 51039636
bis[2-(4-fluoro-3-nitrophenyl)-4-methoxyphenyl]methanone
CID 141011357
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651099
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone (CID 139791589) is 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone?
The InChIKey is BZBBOUYTQXEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-9(18)12-5-4-11(19-2)8-13(12)10-3-6-14(16)15(17)7-10/h3-8H,1-2H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone?
1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone has a molecular weight of 262.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone is sourced from PubChem (CID 139791589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).