3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one

C16H13Cl2FO2 — CID 53417192

IUPAC3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C16H13Cl2FO2/c1-21-15-8-6-11(9-13(15)19)14(20)7-5-10-3-2-4-12(17)16(10)18/h2-4,6,8-9H,5,7H2,1H3
InChIKeyGYNWWMKNXFEGDU-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.96
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one

3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 53417192) has the molecular formula C16H13Cl2FO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID53417192
Molecular FormulaC16H13Cl2FO2
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C16H13Cl2FO2/c1-21-15-8-6-11(9-13(15)19)14(20)7-5-10-3-2-4-12(17)16(10)18/h2-4,6,8-9H,5,7H2,1H3
InChIKeyGYNWWMKNXFEGDU-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
2-(2,6-dichloroanilino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 110823709
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
2-(2-chloro-6-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 43160866
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
CID 53415620

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one (CID 53417192) is 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCc2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is GYNWWMKNXFEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO2/c1-21-15-8-6-11(9-13(15)19)14(20)7-5-10-3-2-4-12(17)16(10)18/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 327.18 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 53417192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).