2-(4-bromophenyl)-8-chlorochromen-4-one

C15H8BrClO2 — CID 164809854

IUPAC2-(4-bromophenyl)-8-chlorochromen-4-one
SMILESO=c1cc(-c2ccc(Br)cc2)oc2c(Cl)cccc12
InChIInChI=1S/C15H8BrClO2/c16-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(17)15(11)19-14/h1-8H
InChIKeyFYAWLYAHMHAMDV-UHFFFAOYSA-N
MW335.58 g/mol
LogP4.88
Rot. Bonds1

About 2-(4-bromophenyl)-8-chlorochromen-4-one

2-(4-bromophenyl)-8-chlorochromen-4-one (PubChem CID 164809854) has the molecular formula C15H8BrClO2 and a molecular weight of 335.58 g/mol. Its IUPAC name is 2-(4-bromophenyl)-8-chlorochromen-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-8-chlorochromen-4-one
PubChem CID164809854
Molecular FormulaC15H8BrClO2
Molecular Weight335.58 g/mol
Exact Mass333.94
IUPAC Name2-(4-bromophenyl)-8-chlorochromen-4-one
SMILESO=c1cc(-c2ccc(Br)cc2)oc2c(Cl)cccc12
InChIInChI=1S/C15H8BrClO2/c16-10-6-4-9(5-7-10)14-8-13(18)11-2-1-3-12(17)15(11)19-14/h1-8H
InChIKeyFYAWLYAHMHAMDV-UHFFFAOYSA-N
XLogP4.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-8-chlorochromen-4-one?
The IUPAC name of 2-(4-bromophenyl)-8-chlorochromen-4-one (CID 164809854) is 2-(4-bromophenyl)-8-chlorochromen-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-8-chlorochromen-4-one?
The canonical SMILES for 2-(4-bromophenyl)-8-chlorochromen-4-one is O=c1cc(-c2ccc(Br)cc2)oc2c(Cl)cccc12.
What is the InChIKey of 2-(4-bromophenyl)-8-chlorochromen-4-one?
The InChIKey is FYAWLYAHMHAMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClO2/c16-10-6-4-9(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 2-(4-bromophenyl)-8-chlorochromen-4-one?
2-(4-bromophenyl)-8-chlorochromen-4-one has a molecular weight of 335.58 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-8-chlorochromen-4-one is sourced from PubChem (CID 164809854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).