1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone

C15H12ClFO2 — CID 61077697

IUPAC1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H12ClFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(16)9-14(13)17/h2-7,9H,8H2,1H3
InChIKeyCLVMZRORUJGKPP-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone

1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone (PubChem CID 61077697) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
PubChem CID61077697
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H12ClFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(16)9-14(13)17/h2-7,9H,8H2,1H3
InChIKeyCLVMZRORUJGKPP-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-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone (CID 61077697) is 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is CLVMZRORUJGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-19-12-4-2-3-10(7-12)8-15(18)13-6-5-11(16)9-14(13)17/h2-7,9H,8H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone?
1-(4-chloro-2-fluorophenyl)-2-(3-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-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 61077697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).