Summary

IMPPAT Phytochemical identifier: IMPHY006596

Phytochemical name: 1,4-Diacetoxybenzene

Synonymous chemical names:
1,4-diacetoxybenzene, hydroquinone diacetate, hydroquinone-diacetate

External chemical identifiers:
CID:71006, ZINC:ZINC000000254933, FDASRS:18I4277Z6G, SureChEMBL:SCHEMBL269329, MolPort-000-279-537

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Chemical structure information

SMILES:
CC(=O)Oc1ccc(cc1)OC(=O)C

InChI:
InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3

InChIKey:
AKOGNYJNGMLDOA-UHFFFAOYSA-N

DeepSMILES:
CC=O)Occcccc6))OC=O)C

Functional groups:
cOC(C)=O

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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: Phenol esters

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.144

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Chemical structure download