2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid

C9H7ClO5 — CID 117333135

IUPAC2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1cc(Cl)c(C(=O)C(=O)O)cc1O
InChIInChI=1S/C9H7ClO5/c1-15-7-3-5(10)4(2-6(7)11)8(12)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyZLPLPYBHTKKJTL-UHFFFAOYSA-N
MW230.60 g/mol
LogP1.32
Rot. Bonds3

About 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid

2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid (PubChem CID 117333135) has the molecular formula C9H7ClO5 and a molecular weight of 230.60 g/mol. Its IUPAC name is 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
PubChem CID117333135
Molecular FormulaC9H7ClO5
Molecular Weight230.60 g/mol
Exact Mass230.00
IUPAC Name2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1cc(Cl)c(C(=O)C(=O)O)cc1O
InChIInChI=1S/C9H7ClO5/c1-15-7-3-5(10)4(2-6(7)11)8(12)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyZLPLPYBHTKKJTL-UHFFFAOYSA-N
XLogP1.32
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
2-(5-chloro-2-ethyl-4-methoxyphenyl)-2-oxoacetic acid
CID 117358488
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
2-oxo-2-(2,4,5-trichlorophenyl)acetic acid
CID 12902422
2-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-oxoacetic acid
CID 117400181
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-fluoropropanoic acid
CID 105426079
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
2-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)-2-oxoacetic acid
CID 117411289
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid (CID 117333135) is 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid is COc1cc(Cl)c(C(=O)C(=O)O)cc1O.
What is the InChIKey of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid?
The InChIKey is ZLPLPYBHTKKJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO5/c1-15-7-3-5(10)4(2-6(7)11)8(12)9(13)14/h2-3,11H,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid?
2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid has a molecular weight of 230.60 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117333135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).