2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone

C15H12ClFO2 — CID 105095876

IUPAC2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)COc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C15H12ClFO2/c1-10-7-11(5-6-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8H,9H2,1H3
InChIKeyQSGLMEPGLGLMQG-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.05
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone

2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 105095876) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID105095876
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCc1cc(C(=O)COc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C15H12ClFO2/c1-10-7-11(5-6-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8H,9H2,1H3
InChIKeyQSGLMEPGLGLMQG-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanone
CID 105113829
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
1-(3,4-difluorophenyl)-2-(3-iodophenoxy)ethanone
CID 60626716
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 83234637
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone (CID 105095876) is 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone is Cc1cc(C(=O)COc2cccc(Cl)c2)ccc1F.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is QSGLMEPGLGLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-10-7-11(5-6-14(10)17)15(18)9-19-13-4-2-3-12(16)8-13/h2-8H,9H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 278.71 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 105095876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).