5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol

C12H10O6 — CID 19426542

IUPAC5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol
SMILESOc1cc(Oc2cccc(O)c2O)cc(O)c1O
InChIInChI=1S/C12H10O6/c13-7-2-1-3-10(12(7)17)18-6-4-8(14)11(16)9(15)5-6/h1-5,13-17H
InChIKeyVRUMSEIALUJVJO-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.01
Rot. Bonds2

About 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol

5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol (PubChem CID 19426542) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol.

Molecular Properties

Compound Name5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol
PubChem CID19426542
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Name5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol
SMILESOc1cc(Oc2cccc(O)c2O)cc(O)c1O
InChIInChI=1S/C12H10O6/c13-7-2-1-3-10(12(7)17)18-6-4-8(14)11(16)9(15)5-6/h1-5,13-17H
InChIKeyVRUMSEIALUJVJO-UHFFFAOYSA-N
XLogP2.01
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol?
The IUPAC name of 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol (CID 19426542) is 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol.
What is the SMILES notation for 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol?
The canonical SMILES for 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol is Oc1cc(Oc2cccc(O)c2O)cc(O)c1O.
What is the InChIKey of 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol?
The InChIKey is VRUMSEIALUJVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c13-7-2-1-3-10(12(7)17)18-6-4-8(14)11(16)9(15)5-6/h1-5,13-17H.
What are the key properties of 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol?
5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol has a molecular weight of 250.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol is sourced from PubChem (CID 19426542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).