5-phenyl-2,5-dihydropyran-6-one

C11H10O2 — CID 57166672

IUPAC5-phenyl-2,5-dihydropyran-6-one
SMILESO=C1OCC=CC1c1ccccc1
InChIInChI=1S/C11H10O2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-7,10H,8H2
InChIKeyWUVKGIHUOMJUDY-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.88
Rot. Bonds1

About 5-phenyl-2,5-dihydropyran-6-one

5-phenyl-2,5-dihydropyran-6-one (PubChem CID 57166672) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-phenyl-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name5-phenyl-2,5-dihydropyran-6-one
PubChem CID57166672
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name5-phenyl-2,5-dihydropyran-6-one
SMILESO=C1OCC=CC1c1ccccc1
InChIInChI=1S/C11H10O2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-7,10H,8H2
InChIKeyWUVKGIHUOMJUDY-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,5-dihydropyran-6-one?
The IUPAC name of 5-phenyl-2,5-dihydropyran-6-one (CID 57166672) is 5-phenyl-2,5-dihydropyran-6-one.
What is the SMILES notation for 5-phenyl-2,5-dihydropyran-6-one?
The canonical SMILES for 5-phenyl-2,5-dihydropyran-6-one is O=C1OCC=CC1c1ccccc1.
What is the InChIKey of 5-phenyl-2,5-dihydropyran-6-one?
The InChIKey is WUVKGIHUOMJUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-7,10H,8H2.
What are the key properties of 5-phenyl-2,5-dihydropyran-6-one?
5-phenyl-2,5-dihydropyran-6-one has a molecular weight of 174.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,5-dihydropyran-6-one is sourced from PubChem (CID 57166672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).