2-methyl-3-phenylmethoxypyran-4-one

C13H12O3 — CID 1490119

IUPAC2-methyl-3-phenylmethoxypyran-4-one
SMILESCc1occc(=O)c1OCc1ccccc1
InChIInChI=1S/C13H12O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyLQDVCPYRCOKNMV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.53
Rot. Bonds3

About 2-methyl-3-phenylmethoxypyran-4-one

2-methyl-3-phenylmethoxypyran-4-one (PubChem CID 1490119) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methyl-3-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name2-methyl-3-phenylmethoxypyran-4-one
PubChem CID1490119
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-methyl-3-phenylmethoxypyran-4-one
SMILESCc1occc(=O)c1OCc1ccccc1
InChIInChI=1S/C13H12O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyLQDVCPYRCOKNMV-UHFFFAOYSA-N
XLogP2.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;3-hydroxy-2-methylpyran-4-one;2-methyl-3-phenylmethoxypyran-4-one;4-oxo-3-phenylmethoxypyran-2-carbaldehyde;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;selenium dioxide;chlorite
CID 158920657
2-methyl-3-(2-methylprop-2-enoxy)pyran-4-one
CID 82064655
9-methoxy-7-methyl-4-phenylmethoxyfuro[3,2-g]chromen-5-one
CID 11537346
2-[hydroxy(thiophen-2-yl)methyl]-3-phenylmethoxypyran-4-one
CID 21474413
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
CID 12011187
3-[3-(4-methoxyphenoxy)propoxy]-2-methylpyran-4-one
CID 82064643
3-(2-methoxyethoxymethoxy)-2-methylpyran-4-one
CID 10856838
2-[[1-(aminomethyl)cyclopropyl]-hydroxymethyl]-3-phenylmethoxypyran-4-one
CID 166874307
[5-[carboxy-(4-oxo-3-phenylmethoxypyran-2-yl)amino]-4-[1-[carboxy-(4-oxo-3-phenylmethoxypyran-2-yl)amino]propyl]-4-nitroheptan-3-yl]-(4-oxo-3-phenylmethoxypyran-2-yl)carbamic acid
CID 90999372
3-[2-(4-tert-butylphenoxy)ethoxy]-2-methylpyran-4-one
CID 82064629
4-phenylmethoxypyran-2-one
CID 16637546
3-[4-[(2-methyl-4-oxopyran-3-yl)oxymethyl]phenyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 39047110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylmethoxypyran-4-one?
The IUPAC name of 2-methyl-3-phenylmethoxypyran-4-one (CID 1490119) is 2-methyl-3-phenylmethoxypyran-4-one.
What is the SMILES notation for 2-methyl-3-phenylmethoxypyran-4-one?
The canonical SMILES for 2-methyl-3-phenylmethoxypyran-4-one is Cc1occc(=O)c1OCc1ccccc1.
What is the InChIKey of 2-methyl-3-phenylmethoxypyran-4-one?
The InChIKey is LQDVCPYRCOKNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-3-phenylmethoxypyran-4-one?
2-methyl-3-phenylmethoxypyran-4-one has a molecular weight of 216.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylmethoxypyran-4-one is sourced from PubChem (CID 1490119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).