2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one

C13H9BrO3 — CID 46197759

IUPAC2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2cc3oc(Br)c(C)c3cc12
InChIInChI=1S/C13H9BrO3/c1-6-3-12(15)16-10-5-11-9(4-8(6)10)7(2)13(14)17-11/h3-5H,1-2H3
InChIKeyXLMFVTSSWCKETB-UHFFFAOYSA-N
MW293.12 g/mol
LogP3.92
Rot. Bonds

About 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one

2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one (PubChem CID 46197759) has the molecular formula C13H9BrO3 and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
PubChem CID46197759
Molecular FormulaC13H9BrO3
Molecular Weight293.12 g/mol
Exact Mass291.97
IUPAC Name2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
SMILESCc1cc(=O)oc2cc3oc(Br)c(C)c3cc12
InChIInChI=1S/C13H9BrO3/c1-6-3-12(15)16-10-5-11-9(4-8(6)10)7(2)13(14)17-11/h3-5H,1-2H3
InChIKeyXLMFVTSSWCKETB-UHFFFAOYSA-N
XLogP3.92
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556
3-(4-bromophenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 1325577
8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
CID 10545292
4-methyl-6,8-dihydrofuro[3,4-g]chromen-2-one
CID 91872203
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
6,7-bis(2-hydroxyethyl)-4-methylchromen-2-one
CID 19392051
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
CID 89064299
CID 89064299
7-(diethylamino)-4,6-dimethylchromen-2-one
CID 11736705
6-tert-butyl-7-hydroxy-4-methylchromen-2-one
CID 71417823
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate
CID 13963

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one?
The IUPAC name of 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one (CID 46197759) is 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one is Cc1cc(=O)oc2cc3oc(Br)c(C)c3cc12.
What is the InChIKey of 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one?
The InChIKey is XLMFVTSSWCKETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO3/c1-6-3-12(15)16-10-5-11-9(4-8(6)10)7(2)13(14)17-11/h3-5H,1-2H3.
What are the key properties of 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one?
2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one has a molecular weight of 293.12 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 46197759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).