5-chloro-2-(2-oxopropoxy)benzoic acid

C10H9ClO4 — CID 9118654

IUPAC5-chloro-2-(2-oxopropoxy)benzoic acid
SMILESCC(=O)COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C10H9ClO4/c1-6(12)5-15-9-3-2-7(11)4-8(9)10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyGCYAYALKLULVFC-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.01
Rot. Bonds4

About 5-chloro-2-(2-oxopropoxy)benzoic acid

5-chloro-2-(2-oxopropoxy)benzoic acid (PubChem CID 9118654) has the molecular formula C10H9ClO4 and a molecular weight of 228.63 g/mol. Its IUPAC name is 5-chloro-2-(2-oxopropoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-oxopropoxy)benzoic acid
PubChem CID9118654
Molecular FormulaC10H9ClO4
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name5-chloro-2-(2-oxopropoxy)benzoic acid
SMILESCC(=O)COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C10H9ClO4/c1-6(12)5-15-9-3-2-7(11)4-8(9)10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyGCYAYALKLULVFC-UHFFFAOYSA-N
XLogP2.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 60676595
5-chloro-2-ethoxybenzoic acid;tungsten
CID 58176486
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 61379377
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
5-chloro-2-[2-(3,5-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417864
5-chloro-2-[2-(2-methylpropylamino)-2-oxoethoxy]benzoic acid
CID 43216932
5-chloro-2-(3,3-dimethylbutoxy)benzoic acid
CID 61379705
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
5-chloro-2-[2-(2,5-dichlorophenoxy)ethoxy]benzoic acid
CID 20988301
5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-oxopropoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(2-oxopropoxy)benzoic acid (CID 9118654) is 5-chloro-2-(2-oxopropoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-oxopropoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-oxopropoxy)benzoic acid is CC(=O)COc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(2-oxopropoxy)benzoic acid?
The InChIKey is GCYAYALKLULVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO4/c1-6(12)5-15-9-3-2-7(11)4-8(9)10(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 5-chloro-2-(2-oxopropoxy)benzoic acid?
5-chloro-2-(2-oxopropoxy)benzoic acid has a molecular weight of 228.63 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-oxopropoxy)benzoic acid is sourced from PubChem (CID 9118654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).