3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one

C14H16O4 — CID 82131092

IUPAC3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one
SMILESCCOc1ccccc1C1CC(C(C)=O)C(=O)O1
InChIInChI=1S/C14H16O4/c1-3-17-12-7-5-4-6-10(12)13-8-11(9(2)15)14(16)18-13/h4-7,11,13H,3,8H2,1-2H3
InChIKeyRWJMPRAGPPXXLX-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.28
Rot. Bonds4

About 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one

3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one (PubChem CID 82131092) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one
PubChem CID82131092
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one
SMILESCCOc1ccccc1C1CC(C(C)=O)C(=O)O1
InChIInChI=1S/C14H16O4/c1-3-17-12-7-5-4-6-10(12)13-8-11(9(2)15)14(16)18-13/h4-7,11,13H,3,8H2,1-2H3
InChIKeyRWJMPRAGPPXXLX-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
2-(2-ethoxyphenyl)-1,3-dioxol-4-ol
CID 70227941
2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one
CID 15445237
7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714756
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
(3R,5R)-3-acetyl-5-ethoxyoxolan-2-one
CID 10374872
1-[3-(2-ethoxyphenoxy)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 68805805
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
diethyl 5-(2-ethoxyphenyl)-2-methyl-5H-1,3-oxazole-4,4-dicarboxylate
CID 11302523
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114339

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one?
The IUPAC name of 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one (CID 82131092) is 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one.
What is the SMILES notation for 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one?
The canonical SMILES for 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one is CCOc1ccccc1C1CC(C(C)=O)C(=O)O1.
What is the InChIKey of 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one?
The InChIKey is RWJMPRAGPPXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-3-17-12-7-5-4-6-10(12)13-8-11(9(2)15)14(16)18-13/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one?
3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one has a molecular weight of 248.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(2-ethoxyphenyl)oxolan-2-one is sourced from PubChem (CID 82131092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).