2-(4-ethoxyphenyl)-2-oxoacetic acid

C10H10O4 — CID 5054841

IUPAC2-(4-ethoxyphenyl)-2-oxoacetic acid
SMILESCCOc1ccc(C(=O)C(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChIKeyISHDMYCQBZTUSC-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.35
Rot. Bonds4

About 2-(4-ethoxyphenyl)-2-oxoacetic acid

2-(4-ethoxyphenyl)-2-oxoacetic acid (PubChem CID 5054841) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-oxoacetic acid
PubChem CID5054841
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(4-ethoxyphenyl)-2-oxoacetic acid
SMILESCCOc1ccc(C(=O)C(=O)O)cc1
InChIInChI=1S/C10H10O4/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChIKeyISHDMYCQBZTUSC-UHFFFAOYSA-N
XLogP1.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.35
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

3-bromo-1-(4-ethoxyphenyl)propane-1,2-dione
CID 94697053
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
(1E,5E)-1,6-bis(4-ethoxyphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione
CID 20834174
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
2-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)prop-2-en-1-one;hydrochloride
CID 139224093
benzamide;1,4-diethoxybenzene
CID 162120306
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
4-(4-ethoxyphenyl)benzamide
CID 163572533
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-oxoacetic acid (CID 5054841) is 2-(4-ethoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-oxoacetic acid is CCOc1ccc(C(=O)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-oxoacetic acid?
The InChIKey is ISHDMYCQBZTUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-2-14-8-5-3-7(4-6-8)9(11)10(12)13/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethoxyphenyl)-2-oxoacetic acid?
2-(4-ethoxyphenyl)-2-oxoacetic acid has a molecular weight of 194.19 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 5054841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).