Summary

IMPPAT Phytochemical identifier: IMPHY012966

Phytochemical name: 2-(2-Phenylethyl)benzoate

Synonymous chemical names:
2-phenethyl benzoate

External chemical identifiers:
CID:6931243

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Chemical structure information

SMILES:
[O-]C(=O)c1ccccc1CCc1ccccc1

InChI:
InChI=1S/C15H14O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)/p-1

InChIKey:
IOHPVZBSOKLVMN-UHFFFAOYSA-M

DeepSMILES:
[O-]C=O)cccccc6CCcccccc6

Functional groups:
cC(=O)[O-]

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.284

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Chemical structure download