3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal

C10H9FO3 — CID 55262322

IUPAC3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal
SMILESCOc1cc(F)ccc1C(=O)CC=O
InChIInChI=1S/C10H9FO3/c1-14-10-6-7(11)2-3-8(10)9(13)4-5-12/h2-3,5-6H,4H2,1H3
InChIKeyOQWSHGZTJBIISA-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.61
Rot. Bonds4

About 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal

3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal (PubChem CID 55262322) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal
PubChem CID55262322
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal
SMILESCOc1cc(F)ccc1C(=O)CC=O
InChIInChI=1S/C10H9FO3/c1-14-10-6-7(11)2-3-8(10)9(13)4-5-12/h2-3,5-6H,4H2,1H3
InChIKeyOQWSHGZTJBIISA-UHFFFAOYSA-N
XLogP1.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-2-methoxyphenyl)-4-oxobutanoic acid
CID 177184211
4-chloro-1-(4-fluoro-2-methoxyphenyl)butan-1-one
CID 146006790
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
5-chloro-1-(4-fluoro-2-methoxyphenyl)pentan-1-one
CID 146006797
3-(2,5-dimethoxy-4-methylphenyl)-3-oxopropanal
CID 98700584
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279
3-(2-fluoro-5-iodo-4-methoxyphenyl)-3-oxopropanal
CID 88989326
3-(2-hydroxy-3,4-dimethoxyphenyl)-3-oxopropanal
CID 91299135
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
CID 22355888
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968000

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal?
The IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal (CID 55262322) is 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal is COc1cc(F)ccc1C(=O)CC=O.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal?
The InChIKey is OQWSHGZTJBIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-14-10-6-7(11)2-3-8(10)9(13)4-5-12/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal?
3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal has a molecular weight of 196.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal is sourced from PubChem (CID 55262322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).