2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid

C11H12O5 — CID 24973282

IUPAC2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid
SMILESCCc1c(O)c(C)cc(C(=O)C(=O)O)c1O
InChIInChI=1S/C11H12O5/c1-3-6-8(12)5(2)4-7(9(6)13)10(14)11(15)16/h4,12-13H,3H2,1-2H3,(H,15,16)
InChIKeyUXYLAJTZDVNCBP-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.24
Rot. Bonds3

About 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid

2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid (PubChem CID 24973282) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid
PubChem CID24973282
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid
SMILESCCc1c(O)c(C)cc(C(=O)C(=O)O)c1O
InChIInChI=1S/C11H12O5/c1-3-6-8(12)5(2)4-7(9(6)13)10(14)11(15)16/h4,12-13H,3H2,1-2H3,(H,15,16)
InChIKeyUXYLAJTZDVNCBP-UHFFFAOYSA-N
XLogP1.24
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid (CID 24973282) is 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid is CCc1c(O)c(C)cc(C(=O)C(=O)O)c1O.
What is the InChIKey of 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid?
The InChIKey is UXYLAJTZDVNCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-3-6-8(12)5(2)4-7(9(6)13)10(14)11(15)16/h4,12-13H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid?
2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid has a molecular weight of 224.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid is sourced from PubChem (CID 24973282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).