3-phenylmethoxypyran-4-one

C12H10O3 — CID 10899678

IUPAC3-phenylmethoxypyran-4-one
SMILESO=c1ccocc1OCc1ccccc1
InChIInChI=1S/C12H10O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyMKMZYQOQNQAGSX-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.22
Rot. Bonds3

About 3-phenylmethoxypyran-4-one

3-phenylmethoxypyran-4-one (PubChem CID 10899678) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name3-phenylmethoxypyran-4-one
PubChem CID10899678
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-phenylmethoxypyran-4-one
SMILESO=c1ccocc1OCc1ccccc1
InChIInChI=1S/C12H10O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyMKMZYQOQNQAGSX-UHFFFAOYSA-N
XLogP2.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypyran-4-one?
The IUPAC name of 3-phenylmethoxypyran-4-one (CID 10899678) is 3-phenylmethoxypyran-4-one.
What is the SMILES notation for 3-phenylmethoxypyran-4-one?
The canonical SMILES for 3-phenylmethoxypyran-4-one is O=c1ccocc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxypyran-4-one?
The InChIKey is MKMZYQOQNQAGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 3-phenylmethoxypyran-4-one?
3-phenylmethoxypyran-4-one has a molecular weight of 202.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypyran-4-one is sourced from PubChem (CID 10899678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).