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

C10H8O5 — CID 117297040

IUPAC2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1ccc(C=O)c(C(=O)C(=O)O)c1
InChIInChI=1S/C10H8O5/c1-15-7-3-2-6(5-11)8(4-7)9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyKIXDKXRSILGAMY-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.77
Rot. Bonds4

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

2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid (PubChem CID 117297040) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
PubChem CID117297040
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1ccc(C=O)c(C(=O)C(=O)O)c1
InChIInChI=1S/C10H8O5/c1-15-7-3-2-6(5-11)8(4-7)9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyKIXDKXRSILGAMY-UHFFFAOYSA-N
XLogP0.77
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
5-acetyloxy-2-formylbenzoic acid
CID 23035901
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148
2-(2-acetylphenyl)-4-methoxybenzaldehyde
CID 42645678
3-(2-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481996
(2-formyl-5-methoxyphenyl)-trimethylazanium
CID 57461915
5-methoxy-2-(3-oxoprop-1-enyl)benzamide
CID 169459619
4-(2-formyl-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877964
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid (CID 117297040) is 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid is COc1ccc(C=O)c(C(=O)C(=O)O)c1.
What is the InChIKey of 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid?
The InChIKey is KIXDKXRSILGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c1-15-7-3-2-6(5-11)8(4-7)9(12)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid?
2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid has a molecular weight of 208.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-methoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117297040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).