(5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone

C13H9BrO3 — CID 118706870

IUPAC(5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1cc(Br)ccc1O
InChIInChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H
InChIKeyPMWHELZQDIMHBK-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.09
Rot. Bonds2

About (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone

(5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 118706870) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
PubChem CID118706870
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name(5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1cc(Br)ccc1O
InChIInChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H
InChIKeyPMWHELZQDIMHBK-UHFFFAOYSA-N
XLogP3.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone (CID 118706870) is (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)c1cc(Br)ccc1O.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is PMWHELZQDIMHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
(5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone has a molecular weight of 293.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 118706870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).