3-(2-bromoacetyl)-7-hydroxychromen-2-one

C11H7BrO4 — CID 6157272

IUPAC3-(2-bromoacetyl)-7-hydroxychromen-2-one
SMILESO=C(CBr)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C11H7BrO4/c12-5-9(14)8-3-6-1-2-7(13)4-10(6)16-11(8)15/h1-4,13H,5H2
InChIKeyRGZBKAVJQZOUBH-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.08
Rot. Bonds2

About 3-(2-bromoacetyl)-7-hydroxychromen-2-one

3-(2-bromoacetyl)-7-hydroxychromen-2-one (PubChem CID 6157272) has the molecular formula C11H7BrO4 and a molecular weight of 283.08 g/mol. Its IUPAC name is 3-(2-bromoacetyl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(2-bromoacetyl)-7-hydroxychromen-2-one
PubChem CID6157272
Molecular FormulaC11H7BrO4
Molecular Weight283.08 g/mol
Exact Mass281.95
IUPAC Name3-(2-bromoacetyl)-7-hydroxychromen-2-one
SMILESO=C(CBr)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C11H7BrO4/c12-5-9(14)8-3-6-1-2-7(13)4-10(6)16-11(8)15/h1-4,13H,5H2
InChIKeyRGZBKAVJQZOUBH-UHFFFAOYSA-N
XLogP2.08
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromoacetyl)benzo[g]chromen-2-one
CID 11267082
7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
CID 19074026
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 135121493
2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135576755
benzyl 7-hydroxy-2-oxochromene-3-carboxylate
CID 101425420
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892
3-amino-7-hydroxychromen-2-one;ethane
CID 145140351
3-[3-(4-benzylpiperazin-1-yl)propanoyl]-7-hydroxychromen-2-one
CID 155543148
N-(2-aminobut-3-enyl)-7-hydroxy-2-oxochromene-3-carboxamide
CID 145271180
3-(7-hydroxy-2-oxochromen-3-yl)propanoic acid
CID 18961636

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoacetyl)-7-hydroxychromen-2-one?
The IUPAC name of 3-(2-bromoacetyl)-7-hydroxychromen-2-one (CID 6157272) is 3-(2-bromoacetyl)-7-hydroxychromen-2-one.
What is the SMILES notation for 3-(2-bromoacetyl)-7-hydroxychromen-2-one?
The canonical SMILES for 3-(2-bromoacetyl)-7-hydroxychromen-2-one is O=C(CBr)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 3-(2-bromoacetyl)-7-hydroxychromen-2-one?
The InChIKey is RGZBKAVJQZOUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO4/c12-5-9(14)8-3-6-1-2-7(13)4-10(6)16-11(8)15/h1-4,13H,5H2.
What are the key properties of 3-(2-bromoacetyl)-7-hydroxychromen-2-one?
3-(2-bromoacetyl)-7-hydroxychromen-2-one has a molecular weight of 283.08 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoacetyl)-7-hydroxychromen-2-one is sourced from PubChem (CID 6157272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).