3-methyl-2-phenyl-2,3-dihydropyran-4-one

C12H12O2 — CID 13084989

IUPAC3-methyl-2-phenyl-2,3-dihydropyran-4-one
SMILESCC1C(=O)C=COC1c1ccccc1
InChIInChI=1S/C12H12O2/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h2-9,12H,1H3
InChIKeyWUYVRAIMUAGDMF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.48
Rot. Bonds1

About 3-methyl-2-phenyl-2,3-dihydropyran-4-one

3-methyl-2-phenyl-2,3-dihydropyran-4-one (PubChem CID 13084989) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-2-phenyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-2,3-dihydropyran-4-one
PubChem CID13084989
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-methyl-2-phenyl-2,3-dihydropyran-4-one
SMILESCC1C(=O)C=COC1c1ccccc1
InChIInChI=1S/C12H12O2/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h2-9,12H,1H3
InChIKeyWUYVRAIMUAGDMF-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-2,3-dihydropyran-4-one?
The IUPAC name of 3-methyl-2-phenyl-2,3-dihydropyran-4-one (CID 13084989) is 3-methyl-2-phenyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-2,3-dihydropyran-4-one?
The canonical SMILES for 3-methyl-2-phenyl-2,3-dihydropyran-4-one is CC1C(=O)C=COC1c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-2,3-dihydropyran-4-one?
The InChIKey is WUYVRAIMUAGDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h2-9,12H,1H3.
What are the key properties of 3-methyl-2-phenyl-2,3-dihydropyran-4-one?
3-methyl-2-phenyl-2,3-dihydropyran-4-one has a molecular weight of 188.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 13084989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).