2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid

C9H7ClO4 — CID 117305828

IUPAC2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1ccc(Cl)c(C(=O)C(=O)O)c1
InChIInChI=1S/C9H7ClO4/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4H,1H3,(H,12,13)
InChIKeyGIQIYOXJZRFXPE-UHFFFAOYSA-N
MW214.60 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid

2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid (PubChem CID 117305828) has the molecular formula C9H7ClO4 and a molecular weight of 214.60 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
PubChem CID117305828
Molecular FormulaC9H7ClO4
Molecular Weight214.60 g/mol
Exact Mass214.00
IUPAC Name2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1ccc(Cl)c(C(=O)C(=O)O)c1
InChIInChI=1S/C9H7ClO4/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4H,1H3,(H,12,13)
InChIKeyGIQIYOXJZRFXPE-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
CID 117297040
1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
2-bromo-1-(2-chloro-5-methoxyphenyl)-2,2-difluoroethanone
CID 130136738
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117333135
methyl 2-[(2-chloro-5-methoxybenzoyl)amino]-2-oxoacetate
CID 174480736
4-chloro-1-(2-chloro-5-methoxyphenyl)butan-1-one
CID 82050615
(1E)-2-chloro-N-hydroxy-5-methoxybenzenecarboximidoyl chloride
CID 88769229
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
5-chloro-1-(2-chloro-5-methoxyphenyl)pentan-1-one
CID 146009620
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
CID 146009638
2-(3,4-dichlorophenyl)sulfanyl-4-methoxybenzoic acid
CID 81308961

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid (CID 117305828) is 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid is COc1ccc(Cl)c(C(=O)C(=O)O)c1.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid?
The InChIKey is GIQIYOXJZRFXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO4/c1-14-5-2-3-7(10)6(4-5)8(11)9(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid?
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid has a molecular weight of 214.60 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117305828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).