4-phenyl-1,3-dioxan-2-one

C10H10O3 — CID 14661659

IUPAC4-phenyl-1,3-dioxan-2-one
SMILESO=C1OCCC(c2ccccc2)O1
InChIInChI=1S/C10H10O3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyLKPSJGYSJJSSDI-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.28
Rot. Bonds1

About 4-phenyl-1,3-dioxan-2-one

4-phenyl-1,3-dioxan-2-one (PubChem CID 14661659) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-phenyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name4-phenyl-1,3-dioxan-2-one
PubChem CID14661659
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-phenyl-1,3-dioxan-2-one
SMILESO=C1OCCC(c2ccccc2)O1
InChIInChI=1S/C10H10O3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyLKPSJGYSJJSSDI-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1,3-dioxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-1,3-dioxolan-2-one
CID 160714565
5-phenyloxolan-2-one
CID 13884
3,3-dimethyl-6-phenyloxan-2-one
CID 171853852
4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
CID 118347041
5-phenyloxolane-2,3-dione
CID 14450727
9,11-dioxatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one
CID 175866594
(3S,4R)-3,4-diphenyloxan-2-one
CID 102139812
(4R)-4-[(S)-phenyl(phenylselanyl)methyl]-1,3-dioxan-2-one
CID 102267280
4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 18766936
2,6-diphenyloxan-4-one
CID 500287
benzyl 2-oxo-1,3-dioxane-4-carboxylate
CID 140663600
2-phenyloxirane
CID 7276

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-dioxan-2-one?
The IUPAC name of 4-phenyl-1,3-dioxan-2-one (CID 14661659) is 4-phenyl-1,3-dioxan-2-one.
What is the SMILES notation for 4-phenyl-1,3-dioxan-2-one?
The canonical SMILES for 4-phenyl-1,3-dioxan-2-one is O=C1OCCC(c2ccccc2)O1.
What is the InChIKey of 4-phenyl-1,3-dioxan-2-one?
The InChIKey is LKPSJGYSJJSSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 4-phenyl-1,3-dioxan-2-one?
4-phenyl-1,3-dioxan-2-one has a molecular weight of 178.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-dioxan-2-one is sourced from PubChem (CID 14661659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).