5,6-dibromochromen-4-one

C9H4Br2O2 — CID 167433686

IUPAC5,6-dibromochromen-4-one
SMILESO=c1ccoc2ccc(Br)c(Br)c12
InChIInChI=1S/C9H4Br2O2/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-4H
InChIKeyMOWYJOGRZHVPLL-UHFFFAOYSA-N
MW303.94 g/mol
LogP3.32
Rot. Bonds

About 5,6-dibromochromen-4-one

5,6-dibromochromen-4-one (PubChem CID 167433686) has the molecular formula C9H4Br2O2 and a molecular weight of 303.94 g/mol. Its IUPAC name is 5,6-dibromochromen-4-one.

Molecular Properties

Compound Name5,6-dibromochromen-4-one
PubChem CID167433686
Molecular FormulaC9H4Br2O2
Molecular Weight303.94 g/mol
Exact Mass301.86
IUPAC Name5,6-dibromochromen-4-one
SMILESO=c1ccoc2ccc(Br)c(Br)c12
InChIInChI=1S/C9H4Br2O2/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-4H
InChIKeyMOWYJOGRZHVPLL-UHFFFAOYSA-N
XLogP3.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.94
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromoflavone
CID 466276
6,3'-Dibromoflavone
CID 10045305
2-(3-Bromophenyl)chromen-4-one
CID 493373
3-Bromochromone
CID 521256
6-Bromo-3-formylchromone
CID 614309
6,8-Dibromo-3-formylchromone
CID 688710
1-(5-Bromo-2-methoxyphenyl)ethanone
CID 2757029
6-Bromo-2-(2-fluorophenyl)chromen-4-one
CID 930570
(2E)-1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 5736234
(E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 73345930
4H-1-Benzopyran-2-carbonitrile, 6-bromo-4-oxo-
CID 214644
5-Bromo-2-methoxybenzaldehyde
CID 90684

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromochromen-4-one?
The IUPAC name of 5,6-dibromochromen-4-one (CID 167433686) is 5,6-dibromochromen-4-one.
What is the SMILES notation for 5,6-dibromochromen-4-one?
The canonical SMILES for 5,6-dibromochromen-4-one is O=c1ccoc2ccc(Br)c(Br)c12.
What is the InChIKey of 5,6-dibromochromen-4-one?
The InChIKey is MOWYJOGRZHVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br2O2/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-4H.
What are the key properties of 5,6-dibromochromen-4-one?
5,6-dibromochromen-4-one has a molecular weight of 303.94 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromochromen-4-one is sourced from PubChem (CID 167433686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).