1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone

C15H12ClFO2 — CID 81453841

IUPAC1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H12ClFO2/c1-19-14-8-3-2-5-10(14)9-13(18)11-6-4-7-12(17)15(11)16/h2-8H,9H2,1H3
InChIKeyJFKTVFRIQKKMPR-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.91
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone

1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone (PubChem CID 81453841) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
PubChem CID81453841
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H12ClFO2/c1-19-14-8-3-2-5-10(14)9-13(18)11-6-4-7-12(17)15(11)16/h2-8H,9H2,1H3
InChIKeyJFKTVFRIQKKMPR-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812505
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 107311518

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone (CID 81453841) is 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is JFKTVFRIQKKMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-19-14-8-3-2-5-10(14)9-13(18)11-6-4-7-12(17)15(11)16/h2-8H,9H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone?
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 278.71 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 81453841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).