3-methyl-4-phenyl-2,3-dihydropyran-6-one

C12H12O2 — CID 101419577

IUPAC3-methyl-4-phenyl-2,3-dihydropyran-6-one
SMILESCC1COC(=O)C=C1c1ccccc1
InChIInChI=1S/C12H12O2/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyBMAKPIWGRGOBQN-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.26
Rot. Bonds1

About 3-methyl-4-phenyl-2,3-dihydropyran-6-one

3-methyl-4-phenyl-2,3-dihydropyran-6-one (PubChem CID 101419577) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-4-phenyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name3-methyl-4-phenyl-2,3-dihydropyran-6-one
PubChem CID101419577
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name3-methyl-4-phenyl-2,3-dihydropyran-6-one
SMILESCC1COC(=O)C=C1c1ccccc1
InChIInChI=1S/C12H12O2/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyBMAKPIWGRGOBQN-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-2,3-dihydropyran-6-one?
The IUPAC name of 3-methyl-4-phenyl-2,3-dihydropyran-6-one (CID 101419577) is 3-methyl-4-phenyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 3-methyl-4-phenyl-2,3-dihydropyran-6-one?
The canonical SMILES for 3-methyl-4-phenyl-2,3-dihydropyran-6-one is CC1COC(=O)C=C1c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-2,3-dihydropyran-6-one?
The InChIKey is BMAKPIWGRGOBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9-8-14-12(13)7-11(9)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3.
What are the key properties of 3-methyl-4-phenyl-2,3-dihydropyran-6-one?
3-methyl-4-phenyl-2,3-dihydropyran-6-one has a molecular weight of 188.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 101419577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).