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

C12H10O7 — CID 170899509

IUPAC2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol
SMILESOc1cc(O)c(Oc2cc(O)cc(O)c2O)c(O)c1
InChIInChI=1S/C12H10O7/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4,13-18H
InChIKeyILQGFPYRUYPAPC-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.71
Rot. Bonds2

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

2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol (PubChem CID 170899509) has the molecular formula C12H10O7 and a molecular weight of 266.20 g/mol. Its IUPAC name is 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol.

Molecular Properties

Compound Name2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol
PubChem CID170899509
Molecular FormulaC12H10O7
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Name2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol
SMILESOc1cc(O)c(Oc2cc(O)cc(O)c2O)c(O)c1
InChIInChI=1S/C12H10O7/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4,13-18H
InChIKeyILQGFPYRUYPAPC-UHFFFAOYSA-N
XLogP1.71
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.20
LogP ≤ 51.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol?
The IUPAC name of 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol (CID 170899509) is 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol.
What is the SMILES notation for 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol?
The canonical SMILES for 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol is Oc1cc(O)c(Oc2cc(O)cc(O)c2O)c(O)c1.
What is the InChIKey of 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol?
The InChIKey is ILQGFPYRUYPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7/c13-5-2-8(16)12(9(17)3-5)19-10-4-6(14)1-7(15)11(10)18/h1-4,13-18H.
What are the key properties of 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol?
2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol has a molecular weight of 266.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trihydroxyphenoxy)benzene-1,3,5-triol is sourced from PubChem (CID 170899509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).