3-bromo-6,7-dimethoxychromen-4-one

C11H9BrO4 — CID 67762458

IUPAC3-bromo-6,7-dimethoxychromen-4-one
SMILESCOc1cc2occ(Br)c(=O)c2cc1OC
InChIInChI=1S/C11H9BrO4/c1-14-9-3-6-8(4-10(9)15-2)16-5-7(12)11(6)13/h3-5H,1-2H3
InChIKeyXGMXUGXHWMSTKY-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.57
Rot. Bonds2

About 3-bromo-6,7-dimethoxychromen-4-one

3-bromo-6,7-dimethoxychromen-4-one (PubChem CID 67762458) has the molecular formula C11H9BrO4 and a molecular weight of 285.09 g/mol. Its IUPAC name is 3-bromo-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-bromo-6,7-dimethoxychromen-4-one
PubChem CID67762458
Molecular FormulaC11H9BrO4
Molecular Weight285.09 g/mol
Exact Mass283.97
IUPAC Name3-bromo-6,7-dimethoxychromen-4-one
SMILESCOc1cc2occ(Br)c(=O)c2cc1OC
InChIInChI=1S/C11H9BrO4/c1-14-9-3-6-8(4-10(9)15-2)16-5-7(12)11(6)13/h3-5H,1-2H3
InChIKeyXGMXUGXHWMSTKY-UHFFFAOYSA-N
XLogP2.57
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
3-bromo-6-fluoro-5-methoxy-1-benzofuran
CID 130050439
6-bromo-3-(3,5-dibromo-4-hydroxyphenyl)-7-methoxychromen-4-one
CID 46928809
3-(6-bromo-4,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dimethoxychromen-4-one
CID 71461759
6-bromo-5-methoxy-3-methyl-1-benzofuran
CID 174145354
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
CID 15228899
6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
CID 13188007
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
3-methoxyfuro[3,2-g]chromen-7-one
CID 12896811
5-bromo-3-methoxy-1-benzofuran
CID 83823580
(3-bromo-4-oxochromen-7-yl) methanesulfonate
CID 121016484

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-dimethoxychromen-4-one?
The IUPAC name of 3-bromo-6,7-dimethoxychromen-4-one (CID 67762458) is 3-bromo-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 3-bromo-6,7-dimethoxychromen-4-one?
The canonical SMILES for 3-bromo-6,7-dimethoxychromen-4-one is COc1cc2occ(Br)c(=O)c2cc1OC.
What is the InChIKey of 3-bromo-6,7-dimethoxychromen-4-one?
The InChIKey is XGMXUGXHWMSTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO4/c1-14-9-3-6-8(4-10(9)15-2)16-5-7(12)11(6)13/h3-5H,1-2H3.
What are the key properties of 3-bromo-6,7-dimethoxychromen-4-one?
3-bromo-6,7-dimethoxychromen-4-one has a molecular weight of 285.09 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 67762458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).