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

C16H15FO3 — CID 175647048

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

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

1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone (PubChem CID 175647048) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
PubChem CID175647048
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
SMILESCOc1ccc(OC)c(-c2ccc(F)cc2C(C)=O)c1
InChIInChI=1S/C16H15FO3/c1-10(18)14-8-11(17)4-6-13(14)15-9-12(19-2)5-7-16(15)20-3/h4-9H,1-3H3
InChIKeyDUZQYRAAVRLXBS-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-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
(2-acetyl-5-methoxyphenyl) 2,4-difluorobenzoate
CID 17409562
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone (CID 175647048) is 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone is COc1ccc(OC)c(-c2ccc(F)cc2C(C)=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone?
The InChIKey is DUZQYRAAVRLXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10(18)14-8-11(17)4-6-13(14)15-9-12(19-2)5-7-16(15)20-3/h4-9H,1-3H3.
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone?
1-[2-(2,5-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-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone is sourced from PubChem (CID 175647048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).