4-methoxy-6-methyl-3-phenylpyran-2-one

C13H12O3 — CID 15786775

IUPAC4-methoxy-6-methyl-3-phenylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1-c1ccccc1
InChIInChI=1S/C13H12O3/c1-9-8-11(15-2)12(13(14)16-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyQWCGWPBKJDCSGH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.62
Rot. Bonds2

About 4-methoxy-6-methyl-3-phenylpyran-2-one

4-methoxy-6-methyl-3-phenylpyran-2-one (PubChem CID 15786775) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-phenylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-methyl-3-phenylpyran-2-one
PubChem CID15786775
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name4-methoxy-6-methyl-3-phenylpyran-2-one
SMILESCOc1cc(C)oc(=O)c1-c1ccccc1
InChIInChI=1S/C13H12O3/c1-9-8-11(15-2)12(13(14)16-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyQWCGWPBKJDCSGH-UHFFFAOYSA-N
XLogP2.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-phenylpyran-2-one?
The IUPAC name of 4-methoxy-6-methyl-3-phenylpyran-2-one (CID 15786775) is 4-methoxy-6-methyl-3-phenylpyran-2-one.
What is the SMILES notation for 4-methoxy-6-methyl-3-phenylpyran-2-one?
The canonical SMILES for 4-methoxy-6-methyl-3-phenylpyran-2-one is COc1cc(C)oc(=O)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-6-methyl-3-phenylpyran-2-one?
The InChIKey is QWCGWPBKJDCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-8-11(15-2)12(13(14)16-9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-3-phenylpyran-2-one?
4-methoxy-6-methyl-3-phenylpyran-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-3-phenylpyran-2-one is sourced from PubChem (CID 15786775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).