Summary

IMPPAT Phytochemical identifier: IMPHY017183

Phytochemical name: 3-(4-hydroxyphenyl)propyl Acetate

Synonymous chemical names:
3-(4-hydroxyphenyl)-propyl acetate

External chemical identifiers:
CID:187242

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Chemical structure information

SMILES:
CC(=O)OCCCc1ccc(cc1)O

InChI:
InChI=1S/C11H14O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h4-7,13H,2-3,8H2,1H3

InChIKey:
UARIKUWXCSCJBL-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCcccccc6))O

Functional groups:
COC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.696

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Chemical structure download