1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone

C16H14ClFO3 — CID 61054868

IUPAC1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)12-5-4-11(18)9-13(12)17/h3-6,8-9H,7H2,1-2H3
InChIKeyVLCXVYOFOPDCEF-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.92
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone

1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 61054868) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID61054868
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C16H14ClFO3/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)12-5-4-11(18)9-13(12)17/h3-6,8-9H,7H2,1-2H3
InChIKeyVLCXVYOFOPDCEF-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 64713786
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968844
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
1-(2-chloro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 43162219

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone (CID 61054868) is 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)c2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is VLCXVYOFOPDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)12-5-4-11(18)9-13(12)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone?
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 308.74 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 61054868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).