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

C11H7ClO2 — CID 15262295

IUPAC2-(4-chlorophenyl)pyran-4-one
SMILESO=c1ccoc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-7H
InChIKeyKKWMCCZSOQOLIU-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.96
Rot. Bonds1

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

2-(4-chlorophenyl)pyran-4-one (PubChem CID 15262295) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-(4-chlorophenyl)pyran-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)pyran-4-one
PubChem CID15262295
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name2-(4-chlorophenyl)pyran-4-one
SMILESO=c1ccoc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-7H
InChIKeyKKWMCCZSOQOLIU-UHFFFAOYSA-N
XLogP2.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)pyran-4-one?
The IUPAC name of 2-(4-chlorophenyl)pyran-4-one (CID 15262295) is 2-(4-chlorophenyl)pyran-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)pyran-4-one?
The canonical SMILES for 2-(4-chlorophenyl)pyran-4-one is O=c1ccoc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)pyran-4-one?
The InChIKey is KKWMCCZSOQOLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-7H.
What are the key properties of 2-(4-chlorophenyl)pyran-4-one?
2-(4-chlorophenyl)pyran-4-one has a molecular weight of 206.63 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)pyran-4-one is sourced from PubChem (CID 15262295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).