2-(5-bromo-2-hydroxyphenyl)chromen-4-one

C15H9BrO3 — CID 146365267

IUPAC2-(5-bromo-2-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(Br)ccc2O)oc2ccccc12
InChIInChI=1S/C15H9BrO3/c16-9-5-6-12(17)11(7-9)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,17H
InChIKeyWHWRWWAITDMTAF-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.93
Rot. Bonds1

About 2-(5-bromo-2-hydroxyphenyl)chromen-4-one

2-(5-bromo-2-hydroxyphenyl)chromen-4-one (PubChem CID 146365267) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxyphenyl)chromen-4-one
PubChem CID146365267
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name2-(5-bromo-2-hydroxyphenyl)chromen-4-one
SMILESO=c1cc(-c2cc(Br)ccc2O)oc2ccccc12
InChIInChI=1S/C15H9BrO3/c16-9-5-6-12(17)11(7-9)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,17H
InChIKeyWHWRWWAITDMTAF-UHFFFAOYSA-N
XLogP3.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-hydroxyphenyl)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

Related Compounds

5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one
CID 177413534
6-bromo-2-(2-iodophenyl)chromen-4-one
CID 86249786
2-(3-amino-4-hydroxyphenyl)chromen-4-one
CID 10422373
2-(2-methylphenyl)chromen-4-one
CID 776385
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
2-phenylchromen-4-one
CID 90124083
2-(3-hydroxy-2-pyridinyl)chromen-4-one
CID 123987973
7-bromo-2-(2-hydroxyphenyl)-6-methylchromen-4-one
CID 100964512
copper;2-phenylchromen-4-one
CID 175169427
2-(2-hydroxyphenyl)chromen-4-one;N-(4-methoxyphenyl)acetamide
CID 70163906
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
2-(3-hydroxy-4-propan-2-ylphenyl)chromen-4-one
CID 170553002

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxyphenyl)chromen-4-one?
The IUPAC name of 2-(5-bromo-2-hydroxyphenyl)chromen-4-one (CID 146365267) is 2-(5-bromo-2-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(5-bromo-2-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 2-(5-bromo-2-hydroxyphenyl)chromen-4-one is O=c1cc(-c2cc(Br)ccc2O)oc2ccccc12.
What is the InChIKey of 2-(5-bromo-2-hydroxyphenyl)chromen-4-one?
The InChIKey is WHWRWWAITDMTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-9-5-6-12(17)11(7-9)15-8-13(18)10-3-1-2-4-14(10)19-15/h1-8,17H.
What are the key properties of 2-(5-bromo-2-hydroxyphenyl)chromen-4-one?
2-(5-bromo-2-hydroxyphenyl)chromen-4-one has a molecular weight of 317.14 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 146365267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).