2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid

C10H10O6 — CID 19021133

IUPAC2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1C(O)CO
InChIInChI=1S/C10H10O6/c11-4-7(12)8-5(9(13)14)2-1-3-6(8)10(15)16/h1-3,7,11-12H,4H2,(H,13,14)(H,15,16)
InChIKeyRDGZHVKTUICBET-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.11
Rot. Bonds4

About 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid

2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid (PubChem CID 19021133) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid
PubChem CID19021133
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1C(O)CO
InChIInChI=1S/C10H10O6/c11-4-7(12)8-5(9(13)14)2-1-3-6(8)10(15)16/h1-3,7,11-12H,4H2,(H,13,14)(H,15,16)
InChIKeyRDGZHVKTUICBET-UHFFFAOYSA-N
XLogP0.11
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid (CID 19021133) is 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)c1C(O)CO.
What is the InChIKey of 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid?
The InChIKey is RDGZHVKTUICBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-4-7(12)8-5(9(13)14)2-1-3-6(8)10(15)16/h1-3,7,11-12H,4H2,(H,13,14)(H,15,16).
What are the key properties of 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid?
2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid has a molecular weight of 226.18 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 19021133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).