3-(2-bromoacetyl)benzo[g]chromen-2-one

C15H9BrO3 — CID 11267082

IUPAC3-(2-bromoacetyl)benzo[g]chromen-2-one
SMILESO=C(CBr)c1cc2cc3ccccc3cc2oc1=O
InChIInChI=1S/C15H9BrO3/c16-8-13(17)12-6-11-5-9-3-1-2-4-10(9)7-14(11)19-15(12)18/h1-7H,8H2
InChIKeyZEQFUPMFOIXASJ-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.52
Rot. Bonds2

About 3-(2-bromoacetyl)benzo[g]chromen-2-one

3-(2-bromoacetyl)benzo[g]chromen-2-one (PubChem CID 11267082) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-(2-bromoacetyl)benzo[g]chromen-2-one.

Molecular Properties

Compound Name3-(2-bromoacetyl)benzo[g]chromen-2-one
PubChem CID11267082
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name3-(2-bromoacetyl)benzo[g]chromen-2-one
SMILESO=C(CBr)c1cc2cc3ccccc3cc2oc1=O
InChIInChI=1S/C15H9BrO3/c16-8-13(17)12-6-11-5-9-3-1-2-4-10(9)7-14(11)19-15(12)18/h1-7H,8H2
InChIKeyZEQFUPMFOIXASJ-UHFFFAOYSA-N
XLogP3.52
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-oxobenzo[g]chromene-3-carboxylic acid
CID 11345462
1-benzo[f][1]benzofuran-2-yl-2-bromoethanone
CID 165356298
3-(2-bromoacetyl)-7-hydroxychromen-2-one
CID 6157272
ethane;hexane;propane;3-propanoylchromen-2-one
CID 142053416
2-oxochromene-3-carboxylic acid
CID 161011590
2-[2-bromo-1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
CID 4737660
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
3-[2-(2-aminophenyl)sulfanylacetyl]chromen-2-one
CID 8553851
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
3-(3-piperidin-1-ylpropanoyl)chromen-2-one
CID 25156895
3-[2-(2-methylpyridin-1-ium-1-yl)acetyl]chromen-2-one
CID 2315080

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoacetyl)benzo[g]chromen-2-one?
The IUPAC name of 3-(2-bromoacetyl)benzo[g]chromen-2-one (CID 11267082) is 3-(2-bromoacetyl)benzo[g]chromen-2-one.
What is the SMILES notation for 3-(2-bromoacetyl)benzo[g]chromen-2-one?
The canonical SMILES for 3-(2-bromoacetyl)benzo[g]chromen-2-one is O=C(CBr)c1cc2cc3ccccc3cc2oc1=O.
What is the InChIKey of 3-(2-bromoacetyl)benzo[g]chromen-2-one?
The InChIKey is ZEQFUPMFOIXASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-8-13(17)12-6-11-5-9-3-1-2-4-10(9)7-14(11)19-15(12)18/h1-7H,8H2.
What are the key properties of 3-(2-bromoacetyl)benzo[g]chromen-2-one?
3-(2-bromoacetyl)benzo[g]chromen-2-one has a molecular weight of 317.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoacetyl)benzo[g]chromen-2-one is sourced from PubChem (CID 11267082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).