2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one

C12H11ClO2 — CID 72824101

IUPAC2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H11ClO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-6,12H,7H2,1H3
InChIKeySZVVIINMYICYEZ-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.27
Rot. Bonds1

About 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one

2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one (PubChem CID 72824101) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one
PubChem CID72824101
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H11ClO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-6,12H,7H2,1H3
InChIKeySZVVIINMYICYEZ-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.27
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-methyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one (CID 72824101) is 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one is CC1=CC(=O)CC(c2ccc(Cl)cc2)O1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one?
The InChIKey is SZVVIINMYICYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-8-6-11(14)7-12(15-8)9-2-4-10(13)5-3-9/h2-6,12H,7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one?
2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one has a molecular weight of 222.67 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 72824101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).