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

C12H12O2 — CID 2817525

IUPAC4-methyl-2-phenyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(c2ccccc2)C1
InChIInChI=1S/C12H12O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3
InChIKeySVMFLXHTBXCJEJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.62
Rot. Bonds1

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

4-methyl-2-phenyl-2,3-dihydropyran-6-one (PubChem CID 2817525) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-methyl-2-phenyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-2,3-dihydropyran-6-one
PubChem CID2817525
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-methyl-2-phenyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(c2ccccc2)C1
InChIInChI=1S/C12H12O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3
InChIKeySVMFLXHTBXCJEJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl acetate
CID 8785
Benzyl Cinnamate
CID 5273469
Styrene Oxide
CID 7276
Crotoxyphos
CID 5371578
Butyl Benzoate
CID 8698
(+)-Kavain
CID 5281565
Hexyl benzoate
CID 23235
2-Phenylethyl Acetate
CID 7654
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-2,3-dihydropyran-6-one?
The IUPAC name of 4-methyl-2-phenyl-2,3-dihydropyran-6-one (CID 2817525) is 4-methyl-2-phenyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-methyl-2-phenyl-2,3-dihydropyran-6-one?
The canonical SMILES for 4-methyl-2-phenyl-2,3-dihydropyran-6-one is CC1=CC(=O)OC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-phenyl-2,3-dihydropyran-6-one?
The InChIKey is SVMFLXHTBXCJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3.
What are the key properties of 4-methyl-2-phenyl-2,3-dihydropyran-6-one?
4-methyl-2-phenyl-2,3-dihydropyran-6-one has a molecular weight of 188.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 2817525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).