Summary

IMPPAT Phytochemical identifier: IMPHY017727

Phytochemical name: 1-(Dimethoxymethyl)-4-methoxybenzene

Synonymous chemical names:
anisaldehyde dimethyl acetal, p-anisaldehyde,dimethyl acetal

External chemical identifiers:
CID:75140, ZINC:ZINC000004283829, FDASRS:XTE77A5ET4, SureChEMBL:SCHEMBL192165, MolPort-003-925-771

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Chemical structure information

SMILES:
COc1ccc(cc1)C(OC)OC

InChI:
InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3

InChIKey:
NNHYAHOTXLASEA-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))COC))OC

Functional groups:
cC(OC)OC, cOC

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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: Benzene and substituted derivatives

ClassyFire Subclass: Benzylethers

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.131

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Chemical structure download