2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one

C17H10ClFO2 — CID 10542280

IUPAC2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one
SMILESO=c1cc(-c2ccc(F)cc2)oc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H10ClFO2/c18-13-5-1-11(2-6-13)16-9-15(20)10-17(21-16)12-3-7-14(19)8-4-12/h1-10H
InChIKeyCWIGKHNPZDTCNE-UHFFFAOYSA-N
MW300.72 g/mol
LogP4.77
Rot. Bonds2

About 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one

2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one (PubChem CID 10542280) has the molecular formula C17H10ClFO2 and a molecular weight of 300.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one
PubChem CID10542280
Molecular FormulaC17H10ClFO2
Molecular Weight300.72 g/mol
Exact Mass300.04
IUPAC Name2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one
SMILESO=c1cc(-c2ccc(F)cc2)oc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H10ClFO2/c18-13-5-1-11(2-6-13)16-9-15(20)10-17(21-16)12-3-7-14(19)8-4-12/h1-10H
InChIKeyCWIGKHNPZDTCNE-UHFFFAOYSA-N
XLogP4.77
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one (CID 10542280) is 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one is O=c1cc(-c2ccc(F)cc2)oc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one?
The InChIKey is CWIGKHNPZDTCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFO2/c18-13-5-1-11(2-6-13)16-9-15(20)10-17(21-16)12-3-7-14(19)8-4-12/h1-10H.
What are the key properties of 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one?
2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one has a molecular weight of 300.72 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one is sourced from PubChem (CID 10542280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).