8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

C17H13BrO4 — CID 14044483

IUPAC8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(Br)c(OC)ccc3c2=O)cc1
InChIInChI=1S/C17H13BrO4/c1-20-11-5-3-10(4-6-11)13-9-22-17-12(16(13)19)7-8-14(21-2)15(17)18/h3-9H,1-2H3
InChIKeyTVBJQHLHOYMAND-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.24
Rot. Bonds3

About 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 14044483) has the molecular formula C17H13BrO4 and a molecular weight of 361.19 g/mol. Its IUPAC name is 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID14044483
Molecular FormulaC17H13BrO4
Molecular Weight361.19 g/mol
Exact Mass360.00
IUPAC Name8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(Br)c(OC)ccc3c2=O)cc1
InChIInChI=1S/C17H13BrO4/c1-20-11-5-3-10(4-6-11)13-9-22-17-12(16(13)19)7-8-14(21-2)15(17)18/h3-9H,1-2H3
InChIKeyTVBJQHLHOYMAND-UHFFFAOYSA-N
XLogP4.24
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (CID 14044483) is 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3c(Br)c(OC)ccc3c2=O)cc1.
What is the InChIKey of 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is TVBJQHLHOYMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO4/c1-20-11-5-3-10(4-6-11)13-9-22-17-12(16(13)19)7-8-14(21-2)15(17)18/h3-9H,1-2H3.
What are the key properties of 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 361.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 14044483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).