1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone

C16H15FO3 — CID 175647044

IUPAC1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
SMILESCOc1ccc(-c2ccc(F)cc2C(C)=O)c(OC)c1
InChIInChI=1S/C16H15FO3/c1-10(18)15-8-11(17)4-6-13(15)14-7-5-12(19-2)9-16(14)20-3/h4-9H,1-3H3
InChIKeyWLGCOSFEESSPKV-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.71
Rot. Bonds4

About 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone

1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone (PubChem CID 175647044) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
PubChem CID175647044
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
SMILESCOc1ccc(-c2ccc(F)cc2C(C)=O)c(OC)c1
InChIInChI=1S/C16H15FO3/c1-10(18)15-8-11(17)4-6-13(15)14-7-5-12(19-2)9-16(14)20-3/h4-9H,1-3H3
InChIKeyWLGCOSFEESSPKV-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647048
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2-acetyl-5-methoxyphenyl) 2,4-difluorobenzoate
CID 17409562
methyl 2-(2,4-dimethoxyphenyl)benzoate
CID 14078327
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone (CID 175647044) is 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone is COc1ccc(-c2ccc(F)cc2C(C)=O)c(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone?
The InChIKey is WLGCOSFEESSPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10(18)15-8-11(17)4-6-13(15)14-7-5-12(19-2)9-16(14)20-3/h4-9H,1-3H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone?
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone has a molecular weight of 274.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone is sourced from PubChem (CID 175647044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).