3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol

C18H14O4 — CID 59253869

IUPAC3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
SMILESOc1cccc(-c2ccccc2-c2cccc(O)c2O)c1O
InChIInChI=1S/C18H14O4/c19-15-9-3-7-13(17(15)21)11-5-1-2-6-12(11)14-8-4-10-16(20)18(14)22/h1-10,19-22H
InChIKeyCOVMEMGJEYAJKQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.84
Rot. Bonds2

About 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol

3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol (PubChem CID 59253869) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
PubChem CID59253869
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
SMILESOc1cccc(-c2ccccc2-c2cccc(O)c2O)c1O
InChIInChI=1S/C18H14O4/c19-15-9-3-7-13(17(15)21)11-5-1-2-6-12(11)14-8-4-10-16(20)18(14)22/h1-10,19-22H
InChIKeyCOVMEMGJEYAJKQ-UHFFFAOYSA-N
XLogP3.84
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.84
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 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol?
The IUPAC name of 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol (CID 59253869) is 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol.
What is the SMILES notation for 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol?
The canonical SMILES for 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol is Oc1cccc(-c2ccccc2-c2cccc(O)c2O)c1O.
What is the InChIKey of 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol?
The InChIKey is COVMEMGJEYAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c19-15-9-3-7-13(17(15)21)11-5-1-2-6-12(11)14-8-4-10-16(20)18(14)22/h1-10,19-22H.
What are the key properties of 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol?
3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol has a molecular weight of 294.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol is sourced from PubChem (CID 59253869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).