6-bromo-2-(2-chlorophenyl)chromen-4-one

C15H8BrClO2 — CID 688993

IUPAC6-bromo-2-(2-chlorophenyl)chromen-4-one
SMILESO=c1cc(-c2ccccc2Cl)oc2ccc(Br)cc12
InChIInChI=1S/C15H8BrClO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H
InChIKeyFVVOWPSJYLMBFF-UHFFFAOYSA-N
MW335.58 g/mol
LogP4.88
Rot. Bonds1

About 6-bromo-2-(2-chlorophenyl)chromen-4-one

6-bromo-2-(2-chlorophenyl)chromen-4-one (PubChem CID 688993) has the molecular formula C15H8BrClO2 and a molecular weight of 335.58 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)chromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)chromen-4-one
PubChem CID688993
Molecular FormulaC15H8BrClO2
Molecular Weight335.58 g/mol
Exact Mass333.94
IUPAC Name6-bromo-2-(2-chlorophenyl)chromen-4-one
SMILESO=c1cc(-c2ccccc2Cl)oc2ccc(Br)cc12
InChIInChI=1S/C15H8BrClO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H
InChIKeyFVVOWPSJYLMBFF-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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Related Compounds

6-Chloroflavone
CID 248021
6-Bromoflavone
CID 466276
4'-Bromoflavone
CID 1686
6,3'-Dibromoflavone
CID 10045305
4'-Chloroflavone
CID 151515
3'-Chloroflavone
CID 466272
3,6-Dichloro-2-phenyl-4h-chromen-4-one
CID 252696
2-(3-Bromophenyl)chromen-4-one
CID 493373
2'-Chloroflavone
CID 163993
Mrs1132
CID 736736
6-Bromo-2-(2-fluorophenyl)chromen-4-one
CID 930570
2-(3-Bromophenyl)-3-hydroxy-4H-chromen-4-one
CID 466298

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)chromen-4-one?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)chromen-4-one (CID 688993) is 6-bromo-2-(2-chlorophenyl)chromen-4-one.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)chromen-4-one?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)chromen-4-one is O=c1cc(-c2ccccc2Cl)oc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)chromen-4-one?
The InChIKey is FVVOWPSJYLMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H.
What are the key properties of 6-bromo-2-(2-chlorophenyl)chromen-4-one?
6-bromo-2-(2-chlorophenyl)chromen-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 6-bromo-2-(2-chlorophenyl)chromen-4-one is sourced from PubChem (CID 688993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).