4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid

C10H12O6 — CID 170818202

IUPAC4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid
SMILESO=C(O)c1ccc(O)c(C(O)C(O)CO)c1
InChIInChI=1S/C10H12O6/c11-4-8(13)9(14)6-3-5(10(15)16)1-2-7(6)12/h1-3,8-9,11-14H,4H2,(H,15,16)
InChIKeyUCWJYJAANLQZJU-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.52
Rot. Bonds4

About 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid

4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid (PubChem CID 170818202) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid
PubChem CID170818202
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid
SMILESO=C(O)c1ccc(O)c(C(O)C(O)CO)c1
InChIInChI=1S/C10H12O6/c11-4-8(13)9(14)6-3-5(10(15)16)1-2-7(6)12/h1-3,8-9,11-14H,4H2,(H,15,16)
InChIKeyUCWJYJAANLQZJU-UHFFFAOYSA-N
XLogP-0.52
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic 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

3-(3-amino-1,2-dihydroxypropyl)-4-hydroxybenzoic acid
CID 170828381
2-(1,2,3-trihydroxypropyl)terephthalic acid
CID 170818688
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
CID 171868523
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzoic acid
CID 55276793
2-(1,2,4-trihydroxybutyl)terephthalic acid
CID 171873150
4-hydroxy-3-(1-hydroxypentyl)benzoic acid
CID 10466191
3-[(S)-amino(carboxy)methyl]-4-hydroxybenzoic acid
CID 66512316
3,4-dihydroxybenzoic acid;2,3-dihydroxybutanedioic acid
CID 159794787
4-(3-cyano-1,2-dihydroxypropyl)-3-hydroxybenzoic acid
CID 171901327
methyl 3-(3-chloro-1,2-dihydroxypropyl)-4-hydroxybenzoate
CID 171862640
4-(1-amino-2-hydroxyethyl)-3-hydroxybenzoic acid
CID 55273418
benzene-1,2,4-tricarboxylic acid;pentane-1,2,3,4,5-pentol
CID 175045405

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid?
The IUPAC name of 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid (CID 170818202) is 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid?
The canonical SMILES for 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid is O=C(O)c1ccc(O)c(C(O)C(O)CO)c1.
What is the InChIKey of 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid?
The InChIKey is UCWJYJAANLQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c11-4-8(13)9(14)6-3-5(10(15)16)1-2-7(6)12/h1-3,8-9,11-14H,4H2,(H,15,16).
What are the key properties of 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid?
4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid has a molecular weight of 228.20 g/mol, XLogP of -0.52, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid is sourced from PubChem (CID 170818202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).