2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid

C13H10O5 — CID 141273895

IUPAC2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1cccc(O)c1O
InChIInChI=1S/C13H10O5/c14-7-4-5-9(13(17)18)10(6-7)8-2-1-3-11(15)12(8)16/h1-6,14-16H,(H,17,18)
InChIKeyMPNLNZZSEAZVSC-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.17
Rot. Bonds2

About 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid

2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid (PubChem CID 141273895) has the molecular formula C13H10O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid
PubChem CID141273895
Molecular FormulaC13H10O5
Molecular Weight246.22 g/mol
Exact Mass246.05
IUPAC Name2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1cccc(O)c1O
InChIInChI=1S/C13H10O5/c14-7-4-5-9(13(17)18)10(6-7)8-2-1-3-11(15)12(8)16/h1-6,14-16H,(H,17,18)
InChIKeyMPNLNZZSEAZVSC-UHFFFAOYSA-N
XLogP2.17
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid?
The IUPAC name of 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid (CID 141273895) is 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid.
What is the SMILES notation for 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid?
The canonical SMILES for 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1-c1cccc(O)c1O.
What is the InChIKey of 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid?
The InChIKey is MPNLNZZSEAZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5/c14-7-4-5-9(13(17)18)10(6-7)8-2-1-3-11(15)12(8)16/h1-6,14-16H,(H,17,18).
What are the key properties of 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid?
2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid has a molecular weight of 246.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid is sourced from PubChem (CID 141273895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).