Ethyl 2-benzyl-3-phenylpropanoate

HCID 249277

Notes Reactions

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Basic information

CAS: 57772-73-3
Standard SMILES: CCOC(=O)C(Cc1ccccc1)Cc1ccccc1
InChIKey: AIGHFRSPAYFRBL-UHFFFAOYSA-N
Molecular formula: C18H20O2
Average molar mass: 268.3 g/mol
Monoisotopic mass: 268.14632988

Names & identifiers

Preferred name: Ethyl 2-benzyl-3-phenylpropanoate
IUPAC: ethyl 2-benzyl-3-phenylpropanoate

Names & synonyms

57772-73-3ethyl 2-benzyl-3-phenylpropanoateNSC67372SCHEMBL10521821DTXSID30973354AIGHFRSPAYFRBL-UHFFFAOYSA-NNSC-673722-benzyl-3-phenylpropionic acid ethyl ester

Database identifiers

CAS: 57772-73-3
PubChem CID: 249277
DTXSID: DTXSID30973354

Properties

Computed structural propertiesFilling in

XLogP: 4.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 255

Related reactions

2 records

New reaction record

HRID 1554319As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1607386As reactantuspto-grants-1989_09

Compound notes

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