6-chloro-2-(3-fluorophenyl)chromen-4-one

C15H8ClFO2 — CID 593078

IUPAC6-chloro-2-(3-fluorophenyl)chromen-4-one
SMILESO=c1cc(-c2cccc(F)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H
InChIKeyGQXSRHIFUJLCSW-UHFFFAOYSA-N
MW274.68 g/mol
LogP4.25
Rot. Bonds1

About 6-chloro-2-(3-fluorophenyl)chromen-4-one

6-chloro-2-(3-fluorophenyl)chromen-4-one (PubChem CID 593078) has the molecular formula C15H8ClFO2 and a molecular weight of 274.68 g/mol. Its IUPAC name is 6-chloro-2-(3-fluorophenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(3-fluorophenyl)chromen-4-one
PubChem CID593078
Molecular FormulaC15H8ClFO2
Molecular Weight274.68 g/mol
Exact Mass274.02
IUPAC Name6-chloro-2-(3-fluorophenyl)chromen-4-one
SMILESO=c1cc(-c2cccc(F)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H
InChIKeyGQXSRHIFUJLCSW-UHFFFAOYSA-N
XLogP4.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-fluorophenyl)chromen-4-one?
The IUPAC name of 6-chloro-2-(3-fluorophenyl)chromen-4-one (CID 593078) is 6-chloro-2-(3-fluorophenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(3-fluorophenyl)chromen-4-one?
The canonical SMILES for 6-chloro-2-(3-fluorophenyl)chromen-4-one is O=c1cc(-c2cccc(F)c2)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(3-fluorophenyl)chromen-4-one?
The InChIKey is GQXSRHIFUJLCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFO2/c16-10-4-5-14-12(7-10)13(18)8-15(19-14)9-2-1-3-11(17)6-9/h1-8H.
What are the key properties of 6-chloro-2-(3-fluorophenyl)chromen-4-one?
6-chloro-2-(3-fluorophenyl)chromen-4-one has a molecular weight of 274.68 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-fluorophenyl)chromen-4-one is sourced from PubChem (CID 593078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).