4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid

C12H13FO4 — CID 141006930

IUPAC4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)C(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H13FO4/c1-17-12(16)10(6-7-11(14)15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKeyFZVUNFDKAOABJM-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.95
Rot. Bonds5

About 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid

4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid (PubChem CID 141006930) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
PubChem CID141006930
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)C(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H13FO4/c1-17-12(16)10(6-7-11(14)15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKeyFZVUNFDKAOABJM-UHFFFAOYSA-N
XLogP1.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluorophenyl)-5-oxopentanoate
CID 87327496
5-(ethylamino)-4-(4-fluorophenyl)-5-oxopentanoic acid
CID 112516346
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117245099
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
methyl (2S)-3-(dibenzylamino)-2-(4-fluorophenyl)propanoate
CID 162417339
2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112517412
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid (CID 141006930) is 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid is COC(=O)C(CCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid?
The InChIKey is FZVUNFDKAOABJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4/c1-17-12(16)10(6-7-11(14)15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid?
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 141006930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).