6-bromo-4-ethyl-7-methoxychromen-2-one

C12H11BrO3 — CID 130464576

IUPAC6-bromo-4-ethyl-7-methoxychromen-2-one
SMILESCCc1cc(=O)oc2cc(OC)c(Br)cc12
InChIInChI=1S/C12H11BrO3/c1-3-7-4-12(14)16-10-6-11(15-2)9(13)5-8(7)10/h4-6H,3H2,1-2H3
InChIKeyZULCBYCIRVOMKT-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.13
Rot. Bonds2

About 6-bromo-4-ethyl-7-methoxychromen-2-one

6-bromo-4-ethyl-7-methoxychromen-2-one (PubChem CID 130464576) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 6-bromo-4-ethyl-7-methoxychromen-2-one.

Molecular Properties

Compound Name6-bromo-4-ethyl-7-methoxychromen-2-one
PubChem CID130464576
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name6-bromo-4-ethyl-7-methoxychromen-2-one
SMILESCCc1cc(=O)oc2cc(OC)c(Br)cc12
InChIInChI=1S/C12H11BrO3/c1-3-7-4-12(14)16-10-6-11(15-2)9(13)5-8(7)10/h4-6H,3H2,1-2H3
InChIKeyZULCBYCIRVOMKT-UHFFFAOYSA-N
XLogP3.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.13
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-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 25272422
ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 11358293
6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one
CID 90395474
7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
(6,7-dimethoxy-2-oxochromen-4-yl)methyl-dimethylsulfanium tetrafluoroborate
CID 139891508
6-bromo-7-hydroxy-4-propylchromen-2-one
CID 169006573
4-[[1-(3-bromo-4-methoxyphenyl)ethylamino]methyl]-6,7-dimethylchromen-2-one
CID 84897970
(2R)-2-amino-3-(6,7-dimethoxy-2-oxochromen-4-yl)propanoic acid
CID 15337094
6-chloro-7-(2-chloroprop-2-enoxy)-4-ethylchromen-2-one
CID 805749

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethyl-7-methoxychromen-2-one?
The IUPAC name of 6-bromo-4-ethyl-7-methoxychromen-2-one (CID 130464576) is 6-bromo-4-ethyl-7-methoxychromen-2-one.
What is the SMILES notation for 6-bromo-4-ethyl-7-methoxychromen-2-one?
The canonical SMILES for 6-bromo-4-ethyl-7-methoxychromen-2-one is CCc1cc(=O)oc2cc(OC)c(Br)cc12.
What is the InChIKey of 6-bromo-4-ethyl-7-methoxychromen-2-one?
The InChIKey is ZULCBYCIRVOMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-3-7-4-12(14)16-10-6-11(15-2)9(13)5-8(7)10/h4-6H,3H2,1-2H3.
What are the key properties of 6-bromo-4-ethyl-7-methoxychromen-2-one?
6-bromo-4-ethyl-7-methoxychromen-2-one has a molecular weight of 283.12 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethyl-7-methoxychromen-2-one is sourced from PubChem (CID 130464576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).