5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one

C13H14O2 — CID 86228803

IUPAC5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one
SMILESCC1=COC(c2ccc(C)cc2)CC1=O
InChIInChI=1S/C13H14O2/c1-9-3-5-11(6-4-9)13-7-12(14)10(2)8-15-13/h3-6,8,13H,7H2,1-2H3
InChIKeyXHMVWSQQQABOHV-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.93
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one

5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one (PubChem CID 86228803) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one
PubChem CID86228803
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one
SMILESCC1=COC(c2ccc(C)cc2)CC1=O
InChIInChI=1S/C13H14O2/c1-9-3-5-11(6-4-9)13-7-12(14)10(2)8-15-13/h3-6,8,13H,7H2,1-2H3
InChIKeyXHMVWSQQQABOHV-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one (CID 86228803) is 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one is CC1=COC(c2ccc(C)cc2)CC1=O.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one?
The InChIKey is XHMVWSQQQABOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-3-5-11(6-4-9)13-7-12(14)10(2)8-15-13/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one?
5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one has a molecular weight of 202.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 86228803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).