4-(bromomethyl)-7,8-dimethylchromen-2-one

C12H11BrO2 — CID 91484430

IUPAC4-(bromomethyl)-7,8-dimethylchromen-2-one
SMILESCc1ccc2c(CBr)cc(=O)oc2c1C
InChIInChI=1S/C12H11BrO2/c1-7-3-4-10-9(6-13)5-11(14)15-12(10)8(7)2/h3-5H,6H2,1-2H3
InChIKeyGXONONZYAXRJFL-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.30
Rot. Bonds1

About 4-(bromomethyl)-7,8-dimethylchromen-2-one

4-(bromomethyl)-7,8-dimethylchromen-2-one (PubChem CID 91484430) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 4-(bromomethyl)-7,8-dimethylchromen-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-7,8-dimethylchromen-2-one
PubChem CID91484430
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name4-(bromomethyl)-7,8-dimethylchromen-2-one
SMILESCc1ccc2c(CBr)cc(=O)oc2c1C
InChIInChI=1S/C12H11BrO2/c1-7-3-4-10-9(6-13)5-11(14)15-12(10)8(7)2/h3-5H,6H2,1-2H3
InChIKeyGXONONZYAXRJFL-UHFFFAOYSA-N
XLogP3.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.30
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

7,8-dimethyl-4-(phenoxymethyl)chromen-2-one
CID 7818186
7,8-dimethyl-4-[(5-methyltetrazol-1-yl)methyl]chromen-2-one
CID 75482323
4-[[bis(furan-2-ylmethyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 8841538
4-[(4-bromo-3-methylanilino)methyl]-7,8-dimethylchromen-2-one
CID 7928687
7,8-dimethyl-4-[(4-propylpyridin-1-ium-1-yl)methyl]chromen-2-one
CID 8877500
4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 16576387
4-[[benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 943563
4-[[benzyl(propyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 46269071
(7,8-dimethyl-2-oxochromen-4-yl)methyl-[(4-fluorophenyl)methyl]azanium
CID 9256570
4-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-7,8-dimethylchromen-2-one
CID 8551444
4-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]benzonitrile
CID 56569593
7,8-dimethyl-4-[(2-phenylethylamino)methyl]chromen-2-one
CID 7492362

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-7,8-dimethylchromen-2-one?
The IUPAC name of 4-(bromomethyl)-7,8-dimethylchromen-2-one (CID 91484430) is 4-(bromomethyl)-7,8-dimethylchromen-2-one.
What is the SMILES notation for 4-(bromomethyl)-7,8-dimethylchromen-2-one?
The canonical SMILES for 4-(bromomethyl)-7,8-dimethylchromen-2-one is Cc1ccc2c(CBr)cc(=O)oc2c1C.
What is the InChIKey of 4-(bromomethyl)-7,8-dimethylchromen-2-one?
The InChIKey is GXONONZYAXRJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-7-3-4-10-9(6-13)5-11(14)15-12(10)8(7)2/h3-5H,6H2,1-2H3.
What are the key properties of 4-(bromomethyl)-7,8-dimethylchromen-2-one?
4-(bromomethyl)-7,8-dimethylchromen-2-one has a molecular weight of 267.12 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7,8-dimethylchromen-2-one is sourced from PubChem (CID 91484430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).