2-(2-oxopropyl)-4-phenyloxolan-3-one

C13H14O3 — CID 102037665

IUPAC2-(2-oxopropyl)-4-phenyloxolan-3-one
SMILESCC(=O)CC1OCC(c2ccccc2)C1=O
InChIInChI=1S/C13H14O3/c1-9(14)7-12-13(15)11(8-16-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKeyRWDOYEQAAWJJFU-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-oxopropyl)-4-phenyloxolan-3-one

2-(2-oxopropyl)-4-phenyloxolan-3-one (PubChem CID 102037665) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-oxopropyl)-4-phenyloxolan-3-one.

Molecular Properties

Compound Name2-(2-oxopropyl)-4-phenyloxolan-3-one
PubChem CID102037665
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(2-oxopropyl)-4-phenyloxolan-3-one
SMILESCC(=O)CC1OCC(c2ccccc2)C1=O
InChIInChI=1S/C13H14O3/c1-9(14)7-12-13(15)11(8-16-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3
InChIKeyRWDOYEQAAWJJFU-UHFFFAOYSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

S-(2-phenyl-1,3-dioxan-5-yl) ethanethioate
CID 10752419
1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one
CID 15324559
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
4-(2-phenyl-1,3-dioxan-4-yl)butan-2-one
CID 134360383
N-hydroxy-N-methyl-2-(2-phenyl-1,3-dioxolan-4-yl)acetamide
CID 21306105
(Z)-6-[(2R,4R,5S)-2,4-diphenyl-1,3-dioxan-5-yl]hex-4-en-2-one
CID 59273175
(E)-6-[(2R,4R,5S)-2,4-diphenyl-1,3-dioxan-5-yl]hex-4-en-2-one
CID 121465119
(Z)-6-[(2S,4S,5R)-2,4-diphenyl-1,3-dioxan-5-yl]hex-4-en-2-one
CID 59273161
2-[(1R,3S)-2-oxo-3-phenylcyclohexyl]acetate
CID 6942729
(3E)-3-(1-aminopropylidene)-4-phenyloxolan-2-one
CID 102266197
1-(oxiran-2-yl)propan-2-one
CID 15110788
1-[(2R,4R,5S,6S)-5-methyl-2-phenyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-one
CID 10446163

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-4-phenyloxolan-3-one?
The IUPAC name of 2-(2-oxopropyl)-4-phenyloxolan-3-one (CID 102037665) is 2-(2-oxopropyl)-4-phenyloxolan-3-one.
What is the SMILES notation for 2-(2-oxopropyl)-4-phenyloxolan-3-one?
The canonical SMILES for 2-(2-oxopropyl)-4-phenyloxolan-3-one is CC(=O)CC1OCC(c2ccccc2)C1=O.
What is the InChIKey of 2-(2-oxopropyl)-4-phenyloxolan-3-one?
The InChIKey is RWDOYEQAAWJJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-9(14)7-12-13(15)11(8-16-12)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3.
What are the key properties of 2-(2-oxopropyl)-4-phenyloxolan-3-one?
2-(2-oxopropyl)-4-phenyloxolan-3-one has a molecular weight of 218.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-4-phenyloxolan-3-one is sourced from PubChem (CID 102037665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).