Summary

IMPPAT Phytochemical identifier: IMPHY015535

Phytochemical name: 3-Ethoxy-2,5-dimethylphenol

Synonymous chemical names:
c10h14o2

External chemical identifiers:
CID:42534156, ZINC:ZINC000012321303, MolPort-005-925-594

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Chemical structure information

SMILES:
CCOc1cc(C)cc(c1C)O

InChI:
InChI=1S/C10H14O2/c1-4-12-10-6-7(2)5-9(11)8(10)3/h5-6,11H,4H2,1-3H3

InChIKey:
HBNWYZXGDSVJBP-UHFFFAOYSA-N

DeepSMILES:
CCOcccC)ccc6C))O

Functional groups:
cO, 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: Xylenes

NP-Likeness score: 0.244

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Chemical structure download