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

C18H14O3 — CID 71046395

IUPAC3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
SMILESOc1ccccc1-c1ccccc1-c1cccc(O)c1O
InChIInChI=1S/C18H14O3/c19-16-10-4-3-8-14(16)12-6-1-2-7-13(12)15-9-5-11-17(20)18(15)21/h1-11,19-21H
InChIKeyUWFDGUVYUVWULG-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.14
Rot. Bonds2

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

3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol (PubChem CID 71046395) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
PubChem CID71046395
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
SMILESOc1ccccc1-c1ccccc1-c1cccc(O)c1O
InChIInChI=1S/C18H14O3/c19-16-10-4-3-8-14(16)12-6-1-2-7-13(12)15-9-5-11-17(20)18(15)21/h1-11,19-21H
InChIKeyUWFDGUVYUVWULG-UHFFFAOYSA-N
XLogP4.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)phenyl]benzene-1,2-diol?
The IUPAC name of 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol (CID 71046395) is 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol.
What is the SMILES notation for 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol?
The canonical SMILES for 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol is Oc1ccccc1-c1ccccc1-c1cccc(O)c1O.
What is the InChIKey of 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol?
The InChIKey is UWFDGUVYUVWULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-16-10-4-3-8-14(16)12-6-1-2-7-13(12)15-9-5-11-17(20)18(15)21/h1-11,19-21H.
What are the key properties of 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol?
3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol has a molecular weight of 278.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol is sourced from PubChem (CID 71046395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).