4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol

C12H10O5 — CID 87697352

IUPAC4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
SMILESOc1cccc(-c2ccc(O)c(O)c2O)c1O
InChIInChI=1S/C12H10O5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5,13-17H
InChIKeyVJRBQNHRHDECBS-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.88
Rot. Bonds1

About 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol

4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol (PubChem CID 87697352) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
PubChem CID87697352
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol
SMILESOc1cccc(-c2ccc(O)c(O)c2O)c1O
InChIInChI=1S/C12H10O5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5,13-17H
InChIKeyVJRBQNHRHDECBS-UHFFFAOYSA-N
XLogP1.88
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol?
The IUPAC name of 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol (CID 87697352) is 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol?
The canonical SMILES for 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol is Oc1cccc(-c2ccc(O)c(O)c2O)c1O.
What is the InChIKey of 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol?
The InChIKey is VJRBQNHRHDECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5,13-17H.
What are the key properties of 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol?
4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol has a molecular weight of 234.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxyphenyl)benzene-1,2,3-triol is sourced from PubChem (CID 87697352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).