3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one

C12H15FO3 — CID 105097300

IUPAC3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO3/c1-3-16-7-6-11(14)9-4-5-12(15-2)10(13)8-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyWJQRSHCTRPRYEZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.44
Rot. Bonds6

About 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one

3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 105097300) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID105097300
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCCOCCC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO3/c1-3-16-7-6-11(14)9-4-5-12(15-2)10(13)8-9/h4-5,8H,3,6-7H2,1-2H3
InChIKeyWJQRSHCTRPRYEZ-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
CID 116555583
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one (CID 105097300) is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one is CCOCCC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is WJQRSHCTRPRYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-3-16-7-6-11(14)9-4-5-12(15-2)10(13)8-9/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 226.25 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 105097300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).