3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one

C15H11BrO3 — CID 175439707

IUPAC3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one
SMILESO=C1c2ccc(O)cc2OCC1(Br)c1ccccc1
InChIInChI=1S/C15H11BrO3/c16-15(10-4-2-1-3-5-10)9-19-13-8-11(17)6-7-12(13)14(15)18/h1-8,17H,9H2
InChIKeyDJJXWQZEYWMANU-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.26
Rot. Bonds1

About 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one

3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one (PubChem CID 175439707) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one.

Molecular Properties

Compound Name3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one
PubChem CID175439707
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one
SMILESO=C1c2ccc(O)cc2OCC1(Br)c1ccccc1
InChIInChI=1S/C15H11BrO3/c16-15(10-4-2-1-3-5-10)9-19-13-8-11(17)6-7-12(13)14(15)18/h1-8,17H,9H2
InChIKeyDJJXWQZEYWMANU-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one 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 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one?
The IUPAC name of 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one (CID 175439707) is 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one.
What is the SMILES notation for 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one?
The canonical SMILES for 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one is O=C1c2ccc(O)cc2OCC1(Br)c1ccccc1.
What is the InChIKey of 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one?
The InChIKey is DJJXWQZEYWMANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c16-15(10-4-2-1-3-5-10)9-19-13-8-11(17)6-7-12(13)14(15)18/h1-8,17H,9H2.
What are the key properties of 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one?
3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one has a molecular weight of 319.15 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-hydroxy-3-phenyl-2H-chromen-4-one is sourced from PubChem (CID 175439707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).