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

C11H7ClO2 — CID 6610090

IUPAC6-(2-chlorophenyl)pyran-2-one
SMILESO=c1cccc(-c2ccccc2Cl)o1
InChIInChI=1S/C11H7ClO2/c12-9-5-2-1-4-8(9)10-6-3-7-11(13)14-10/h1-7H
InChIKeyFDBTXNVARCGPEU-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.96
Rot. Bonds1

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

6-(2-chlorophenyl)pyran-2-one (PubChem CID 6610090) has the molecular formula C11H7ClO2 and a molecular weight of 206.63 g/mol. Its IUPAC name is 6-(2-chlorophenyl)pyran-2-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)pyran-2-one
PubChem CID6610090
Molecular FormulaC11H7ClO2
Molecular Weight206.63 g/mol
Exact Mass206.01
IUPAC Name6-(2-chlorophenyl)pyran-2-one
SMILESO=c1cccc(-c2ccccc2Cl)o1
InChIInChI=1S/C11H7ClO2/c12-9-5-2-1-4-8(9)10-6-3-7-11(13)14-10/h1-7H
InChIKeyFDBTXNVARCGPEU-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 6-(2-chlorophenyl)pyran-2-one?
The IUPAC name of 6-(2-chlorophenyl)pyran-2-one (CID 6610090) is 6-(2-chlorophenyl)pyran-2-one.
What is the SMILES notation for 6-(2-chlorophenyl)pyran-2-one?
The canonical SMILES for 6-(2-chlorophenyl)pyran-2-one is O=c1cccc(-c2ccccc2Cl)o1.
What is the InChIKey of 6-(2-chlorophenyl)pyran-2-one?
The InChIKey is FDBTXNVARCGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2/c12-9-5-2-1-4-8(9)10-6-3-7-11(13)14-10/h1-7H.
What are the key properties of 6-(2-chlorophenyl)pyran-2-one?
6-(2-chlorophenyl)pyran-2-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 6-(2-chlorophenyl)pyran-2-one is sourced from PubChem (CID 6610090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).