2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone

C16H14F2O3 — CID 105412160

IUPAC2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2cc(F)cc(F)c2)c1OC
InChIInChI=1S/C16H14F2O3/c1-20-15-5-3-4-13(16(15)21-2)14(19)8-10-6-11(17)9-12(18)7-10/h3-7,9H,8H2,1-2H3
InChIKeyDYPFACALCRILIF-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.41
Rot. Bonds5

About 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone

2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone (PubChem CID 105412160) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
PubChem CID105412160
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cc2cc(F)cc(F)c2)c1OC
InChIInChI=1S/C16H14F2O3/c1-20-15-5-3-4-13(16(15)21-2)14(19)8-10-6-11(17)9-12(18)7-10/h3-7,9H,8H2,1-2H3
InChIKeyDYPFACALCRILIF-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105089542
1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
CID 79702150
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 107311518
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 105089222
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone (CID 105412160) is 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone is COc1cccc(C(=O)Cc2cc(F)cc(F)c2)c1OC.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
The InChIKey is DYPFACALCRILIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-20-15-5-3-4-13(16(15)21-2)14(19)8-10-6-11(17)9-12(18)7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone?
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone has a molecular weight of 292.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone is sourced from PubChem (CID 105412160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).