2,3,5-trihydroxynaphthalene-1-carboxylic acid

C11H8O5 — CID 57055714

IUPAC2,3,5-trihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(O)c(O)cc2c(O)cccc12
InChIInChI=1S/C11H8O5/c12-7-3-1-2-5-6(7)4-8(13)10(14)9(5)11(15)16/h1-4,12-14H,(H,15,16)
InChIKeyUDEJAZLJOPGUOP-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.65
Rot. Bonds1

About 2,3,5-trihydroxynaphthalene-1-carboxylic acid

2,3,5-trihydroxynaphthalene-1-carboxylic acid (PubChem CID 57055714) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2,3,5-trihydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2,3,5-trihydroxynaphthalene-1-carboxylic acid
PubChem CID57055714
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name2,3,5-trihydroxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(O)c(O)cc2c(O)cccc12
InChIInChI=1S/C11H8O5/c12-7-3-1-2-5-6(7)4-8(13)10(14)9(5)11(15)16/h1-4,12-14H,(H,15,16)
InChIKeyUDEJAZLJOPGUOP-UHFFFAOYSA-N
XLogP1.65
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2,3,5-trihydroxynaphthalene-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trihydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 2,3,5-trihydroxynaphthalene-1-carboxylic acid (CID 57055714) is 2,3,5-trihydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 2,3,5-trihydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 2,3,5-trihydroxynaphthalene-1-carboxylic acid is O=C(O)c1c(O)c(O)cc2c(O)cccc12.
What is the InChIKey of 2,3,5-trihydroxynaphthalene-1-carboxylic acid?
The InChIKey is UDEJAZLJOPGUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5/c12-7-3-1-2-5-6(7)4-8(13)10(14)9(5)11(15)16/h1-4,12-14H,(H,15,16).
What are the key properties of 2,3,5-trihydroxynaphthalene-1-carboxylic acid?
2,3,5-trihydroxynaphthalene-1-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trihydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 57055714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).