Mls002638792

HCID 228445

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Basic information

CAS: 5435-93-8
Standard SMILES: CCOC1=CC(=O)OC(c2ccccc2)C1
InChIKey: PROSGESLBNKEFD-UHFFFAOYSA-N
Molecular formula: C13H14O3
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.0942943

Names & identifiers

Preferred name: Mls002638792
IUPAC: 4-ethoxy-2-phenyl-2,3-dihydropyran-6-one

Names & synonyms

5435-93-8MLS002638792DTXSID40281356RefChem:357161DTXCID902325104-ethoxy-6-phenyl-5,6-dihydro-2H-pyran-2-oneNSC213824-ETHOXY-6-PHENYL-5,6-DIHYDROPYRAN-2-ONE733010-51-0CHEMBL1728854HMS3086F23NSC-21382

Show more names

SMR001548257DS-0053294-ethoxy-6-phenyl-5,6-dihydro-pyran-2-one

Database identifiers

CAS: 5435-93-8
PubChem CID: 228445
DTXSID: DTXSID40281356
ChEMBL: CHEMBL1728854
Nikkaji: J2.071.840D

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 277

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