3-(3-phenylmethoxypropanoyl)oxolan-2-one

C14H16O4 — CID 14808515

IUPAC3-(3-phenylmethoxypropanoyl)oxolan-2-one
SMILESO=C(CCOCc1ccccc1)C1CCOC1=O
InChIInChI=1S/C14H16O4/c15-13(12-6-9-18-14(12)16)7-8-17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyGSNIZIJNOBZIIK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.73
Rot. Bonds6

About 3-(3-phenylmethoxypropanoyl)oxolan-2-one

3-(3-phenylmethoxypropanoyl)oxolan-2-one (PubChem CID 14808515) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(3-phenylmethoxypropanoyl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-phenylmethoxypropanoyl)oxolan-2-one
PubChem CID14808515
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-(3-phenylmethoxypropanoyl)oxolan-2-one
SMILESO=C(CCOCc1ccccc1)C1CCOC1=O
InChIInChI=1S/C14H16O4/c15-13(12-6-9-18-14(12)16)7-8-17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyGSNIZIJNOBZIIK-UHFFFAOYSA-N
XLogP1.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
3-(2-phenylmethoxyethyl)-1,4-dioxan-2-one
CID 154697506
benzyl 2-(2-oxooxolan-3-yl)acetate
CID 91271905
1-(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-3-phenylmethoxypropan-1-one
CID 171940638
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
oxan-2-one;5-phenylmethoxypentanoic acid
CID 159909942
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
1-phenyl-4-phenylmethoxybutan-2-one
CID 134894703
benzyl 2-oxo-1,3-dioxane-4-carboxylate
CID 140663600
tert-butyl N-[(1S)-3,3-dimethyl-1-(2-oxooxolan-3-yl)-5-phenylmethoxypentyl]carbamate
CID 22882496
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxypropanoyl)oxolan-2-one?
The IUPAC name of 3-(3-phenylmethoxypropanoyl)oxolan-2-one (CID 14808515) is 3-(3-phenylmethoxypropanoyl)oxolan-2-one.
What is the SMILES notation for 3-(3-phenylmethoxypropanoyl)oxolan-2-one?
The canonical SMILES for 3-(3-phenylmethoxypropanoyl)oxolan-2-one is O=C(CCOCc1ccccc1)C1CCOC1=O.
What is the InChIKey of 3-(3-phenylmethoxypropanoyl)oxolan-2-one?
The InChIKey is GSNIZIJNOBZIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-13(12-6-9-18-14(12)16)7-8-17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 3-(3-phenylmethoxypropanoyl)oxolan-2-one?
3-(3-phenylmethoxypropanoyl)oxolan-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxypropanoyl)oxolan-2-one is sourced from PubChem (CID 14808515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).