2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid

C13H16O6 — CID 175802536

IUPAC2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(CCCO)c1CCO
InChIInChI=1S/C13H16O6/c14-6-1-2-8-9(5-7-15)11(13(18)19)4-3-10(8)12(16)17/h3-4,14-15H,1-2,5-7H2,(H,16,17)(H,18,19)
InChIKeyZMXZNDFDEIMULG-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.54
Rot. Bonds7

About 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid

2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid (PubChem CID 175802536) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid
PubChem CID175802536
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(CCCO)c1CCO
InChIInChI=1S/C13H16O6/c14-6-1-2-8-9(5-7-15)11(13(18)19)4-3-10(8)12(16)17/h3-4,14-15H,1-2,5-7H2,(H,16,17)(H,18,19)
InChIKeyZMXZNDFDEIMULG-UHFFFAOYSA-N
XLogP0.54
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic 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

2,3-bis(6-hydroxyhexyl)terephthalic acid
CID 18466289
4-(4-hydroxybutoxycarbonyl)-2,3-bis(2-hydroxyethyl)benzoic acid
CID 20519540
2-(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 19913521
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
CID 44578581
1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid
CID 141108943
2-nonyl-3-pentylterephthalic acid
CID 122470238
2,3-di(icosyl)terephthalic acid
CID 89482295
2,3-dihexadecylterephthalic acid
CID 70135464
2-(2-hydroxyethyl)-3-(2-prop-2-enoyloxyethyl)terephthalic acid
CID 140978667
2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728
2,3-diheptyl-4-hydroxybenzoic acid
CID 69402262
4,6-bis(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 139624390

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid?
The IUPAC name of 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid (CID 175802536) is 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid is O=C(O)c1ccc(C(=O)O)c(CCCO)c1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid?
The InChIKey is ZMXZNDFDEIMULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c14-6-1-2-8-9(5-7-15)11(13(18)19)4-3-10(8)12(16)17/h3-4,14-15H,1-2,5-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid?
2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid has a molecular weight of 268.26 g/mol, XLogP of 0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid is sourced from PubChem (CID 175802536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).