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

C10H10O5 — CID 19913521

IUPAC2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1CCO
InChIInChI=1S/C10H10O5/c11-5-4-6-7(9(12)13)2-1-3-8(6)10(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)
InChIKeyXJQBDMBFCWCRLH-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.62
Rot. Bonds4

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

2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid (PubChem CID 19913521) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
PubChem CID19913521
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1CCO
InChIInChI=1S/C10H10O5/c11-5-4-6-7(9(12)13)2-1-3-8(6)10(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)
InChIKeyXJQBDMBFCWCRLH-UHFFFAOYSA-N
XLogP0.62
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid
CID 175802536
4,6-bis(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 139624390
3-amino-2-[2-(2-amino-6-carboxyphenyl)ethyl]benzoic acid
CID 154093192
2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728
methanediol;phthalic acid
CID 70525231
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
CID 44578581
2,3-bis(6-hydroxyhexyl)terephthalic acid
CID 18466289
2-(2,2-dimethylpropyl)benzene-1,3-dicarboxylic acid
CID 21221868
5-carbamoyl-3-(2-hydroxyethyl)benzene-1,2,4-tricarboxylic acid
CID 174622074
2-amino-3-(3-hydroxypropyl)benzoic acid
CID 121470801
2-[[4-[(2-carboxy-6-hydroxyphenyl)methyl]phenyl]methyl]-3-hydroxybenzoic acid
CID 70452171

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid (CID 19913521) is 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)c1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid?
The InChIKey is XJQBDMBFCWCRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c11-5-4-6-7(9(12)13)2-1-3-8(6)10(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid?
2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 19913521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).