4-(bromomethyl)-6-chlorochromen-2-one

C10H6BrClO2 — CID 12936141

IUPAC4-(bromomethyl)-6-chlorochromen-2-one
SMILESO=c1cc(CBr)c2cc(Cl)ccc2o1
InChIInChI=1S/C10H6BrClO2/c11-5-6-3-10(13)14-9-2-1-7(12)4-8(6)9/h1-4H,5H2
InChIKeyIVLBZYQWRCDIOX-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.34
Rot. Bonds1

About 4-(bromomethyl)-6-chlorochromen-2-one

4-(bromomethyl)-6-chlorochromen-2-one (PubChem CID 12936141) has the molecular formula C10H6BrClO2 and a molecular weight of 273.51 g/mol. Its IUPAC name is 4-(bromomethyl)-6-chlorochromen-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-6-chlorochromen-2-one
PubChem CID12936141
Molecular FormulaC10H6BrClO2
Molecular Weight273.51 g/mol
Exact Mass271.92
IUPAC Name4-(bromomethyl)-6-chlorochromen-2-one
SMILESO=c1cc(CBr)c2cc(Cl)ccc2o1
InChIInChI=1S/C10H6BrClO2/c11-5-6-3-10(13)14-9-2-1-7(12)4-8(6)9/h1-4H,5H2
InChIKeyIVLBZYQWRCDIOX-UHFFFAOYSA-N
XLogP3.34
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
CID 25194314
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
3-(bromomethyl)-6-chlorochromen-2-one
CID 122396911
2-(6-chloro-2-oxochromen-4-yl)oxyacetic acid
CID 170530315
(5Z)-3-[(6-chloro-2-oxochromen-4-yl)methyl]-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 155812185
4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one
CID 25154800
4-(5-aminopentoxy)-6-chlorochromen-2-one
CID 11173576
6-chloro-4-(2,6-dichlorophenyl)sulfanylchromen-2-one
CID 86186524
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
4-[[4-(2-amino-6-phenylpyrimidin-4-yl)phenoxy]methyl]-6-chlorochromen-2-one
CID 46702559
6-chloro-4-[[4-(2-methoxyphenyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one dichloride
CID 44664206
6-bromo-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
CID 25194101

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-chlorochromen-2-one?
The IUPAC name of 4-(bromomethyl)-6-chlorochromen-2-one (CID 12936141) is 4-(bromomethyl)-6-chlorochromen-2-one.
What is the SMILES notation for 4-(bromomethyl)-6-chlorochromen-2-one?
The canonical SMILES for 4-(bromomethyl)-6-chlorochromen-2-one is O=c1cc(CBr)c2cc(Cl)ccc2o1.
What is the InChIKey of 4-(bromomethyl)-6-chlorochromen-2-one?
The InChIKey is IVLBZYQWRCDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClO2/c11-5-6-3-10(13)14-9-2-1-7(12)4-8(6)9/h1-4H,5H2.
What are the key properties of 4-(bromomethyl)-6-chlorochromen-2-one?
4-(bromomethyl)-6-chlorochromen-2-one has a molecular weight of 273.51 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-chlorochromen-2-one is sourced from PubChem (CID 12936141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).