[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite

C15H8BrClO3 — CID 146493383

IUPAC[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite
SMILESO=c1cc(-c2ccc(OBr)cc2)oc2c(Cl)cccc12
InChIInChI=1S/C15H8BrClO3/c16-20-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(17)15(11)19-14/h1-8H
InChIKeyVYVILXNRXTUZRG-UHFFFAOYSA-N
MW351.58 g/mol
LogP4.80
Rot. Bonds2

About [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite

[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite (PubChem CID 146493383) has the molecular formula C15H8BrClO3 and a molecular weight of 351.58 g/mol. Its IUPAC name is [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite.

Molecular Properties

Compound Name[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite
PubChem CID146493383
Molecular FormulaC15H8BrClO3
Molecular Weight351.58 g/mol
Exact Mass349.93
IUPAC Name[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite
SMILESO=c1cc(-c2ccc(OBr)cc2)oc2c(Cl)cccc12
InChIInChI=1S/C15H8BrClO3/c16-20-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(17)15(11)19-14/h1-8H
InChIKeyVYVILXNRXTUZRG-UHFFFAOYSA-N
XLogP4.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite?
The IUPAC name of [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite (CID 146493383) is [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite.
What is the SMILES notation for [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite?
The canonical SMILES for [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite is O=c1cc(-c2ccc(OBr)cc2)oc2c(Cl)cccc12.
What is the InChIKey of [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite?
The InChIKey is VYVILXNRXTUZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClO3/c16-20-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(17)15(11)19-14/h1-8H.
What are the key properties of [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite?
[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite has a molecular weight of 351.58 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite is sourced from PubChem (CID 146493383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).