8-bromo-6-hydroxychromen-4-one

C9H5BrO3 — CID 141060363

IUPAC8-bromo-6-hydroxychromen-4-one
SMILESO=c1ccoc2c(Br)cc(O)cc12
InChIInChI=1S/C9H5BrO3/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h1-4,11H
InChIKeyVMEHYKHHKVQTGF-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.26
Rot. Bonds

About 8-bromo-6-hydroxychromen-4-one

8-bromo-6-hydroxychromen-4-one (PubChem CID 141060363) has the molecular formula C9H5BrO3 and a molecular weight of 241.04 g/mol. Its IUPAC name is 8-bromo-6-hydroxychromen-4-one.

Molecular Properties

Compound Name8-bromo-6-hydroxychromen-4-one
PubChem CID141060363
Molecular FormulaC9H5BrO3
Molecular Weight241.04 g/mol
Exact Mass239.94
IUPAC Name8-bromo-6-hydroxychromen-4-one
SMILESO=c1ccoc2c(Br)cc(O)cc12
InChIInChI=1S/C9H5BrO3/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h1-4,11H
InChIKeyVMEHYKHHKVQTGF-UHFFFAOYSA-N
XLogP2.26
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83396930
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CID 18686752
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CID 139560747
4,7-dibromodibenzofuran-2-ol
CID 162473506
7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one
CID 156768023
7-bromo-4-methyl-1-benzofuran
CID 21071800
7-bromo-4,6-dichloro-1-benzofuran
CID 22144862
7-hydroxy-8-prop-2-enylchromen-4-one
CID 12693798
7-bromofuro[3,2-b]pyridine-5-carboxylic acid
CID 135392134
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579
bromobenzene;chromen-4-one
CID 174809663
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-hydroxychromen-4-one?
The IUPAC name of 8-bromo-6-hydroxychromen-4-one (CID 141060363) is 8-bromo-6-hydroxychromen-4-one.
What is the SMILES notation for 8-bromo-6-hydroxychromen-4-one?
The canonical SMILES for 8-bromo-6-hydroxychromen-4-one is O=c1ccoc2c(Br)cc(O)cc12.
What is the InChIKey of 8-bromo-6-hydroxychromen-4-one?
The InChIKey is VMEHYKHHKVQTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO3/c10-7-4-5(11)3-6-8(12)1-2-13-9(6)7/h1-4,11H.
What are the key properties of 8-bromo-6-hydroxychromen-4-one?
8-bromo-6-hydroxychromen-4-one has a molecular weight of 241.04 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-hydroxychromen-4-one is sourced from PubChem (CID 141060363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).