5-(2-chlorophenyl)-4-oxopentanoic acid

C11H11ClO3 — CID 66338254

IUPAC5-(2-chlorophenyl)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H11ClO3/c12-10-4-2-1-3-8(10)7-9(13)5-6-11(14)15/h1-4H,5-7H2,(H,14,15)
InChIKeyQZEDOFRVYUPBMT-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.32
Rot. Bonds5

About 5-(2-chlorophenyl)-4-oxopentanoic acid

5-(2-chlorophenyl)-4-oxopentanoic acid (PubChem CID 66338254) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-oxopentanoic acid
PubChem CID66338254
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name5-(2-chlorophenyl)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)Cc1ccccc1Cl
InChIInChI=1S/C11H11ClO3/c12-10-4-2-1-3-8(10)7-9(13)5-6-11(14)15/h1-4H,5-7H2,(H,14,15)
InChIKeyQZEDOFRVYUPBMT-UHFFFAOYSA-N
XLogP2.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
5-(2-aminophenyl)-4-oxopentanoic acid
CID 161359618
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CID 116572051
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
1-(2-chlorophenyl)decan-2-one
CID 63409482
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
S-phenyl 2-(2-chlorophenyl)ethanethioate
CID 135084649
3-[(2-chlorophenyl)methyl]but-3-enoic acid
CID 117268936
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 61415066
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-oxopentanoic acid?
The IUPAC name of 5-(2-chlorophenyl)-4-oxopentanoic acid (CID 66338254) is 5-(2-chlorophenyl)-4-oxopentanoic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-4-oxopentanoic acid?
The canonical SMILES for 5-(2-chlorophenyl)-4-oxopentanoic acid is O=C(O)CCC(=O)Cc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-4-oxopentanoic acid?
The InChIKey is QZEDOFRVYUPBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-10-4-2-1-3-8(10)7-9(13)5-6-11(14)15/h1-4H,5-7H2,(H,14,15).
What are the key properties of 5-(2-chlorophenyl)-4-oxopentanoic acid?
5-(2-chlorophenyl)-4-oxopentanoic acid has a molecular weight of 226.66 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-oxopentanoic acid is sourced from PubChem (CID 66338254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).