3-(4-Methoxyphenyl)oxolan-2-one

HCID 22013232

Notes Reactions

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Basic information

CAS: 194724-89-5
Standard SMILES: COc1ccc(C2CCOC2=O)cc1
InChIKey: YDUZDAUTAKKRQK-UHFFFAOYSA-N
Molecular formula: C11H12O3
Average molar mass: 192.21 g/mol
Monoisotopic mass: 192.07864424

Names & identifiers

Preferred name: 3-(4-Methoxyphenyl)oxolan-2-one
IUPAC: 3-(4-methoxyphenyl)oxolan-2-one

Names & synonyms

3-(4-Methoxyphenyl)oxolan-2-one194724-89-5DTXSID90621485RefChem:274745DTXCID20572239SCHEMBL2303850YDUZDAUTAKKRQK-UHFFFAOYSA-N3-(4-methoxyphenyl)-dihydro-furan-2-one

Database identifiers

CAS: 194724-89-5
PubChem CID: 22013232
DTXSID: DTXSID90621485
Nikkaji: J864.613I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 207

Related reactions

2 records

New reaction record

HRID 1131597As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1670832As reactantuspto-grants-2011_08

Compound notes

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