Summary

IMPPAT Phytochemical identifier: IMPHY017519

Phytochemical name: 1-Methoxy-1,2,3,4-tetrahydronaphthalene

Synonymous chemical names:
1,2,3,4-tertahydro-1-methoxy-napthalene, 1,2,3,4-tetrahydro-1-methoxy- naphthalene, 1,2,3,4-tetrahydro-1-methoxy-naphthalene

External chemical identifiers:
CID:582638, SureChEMBL:SCHEMBL2472307

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Chemical structure information

SMILES:
COC1CCCc2c1cccc2

InChI:
InChI=1S/C11H14O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3

InChIKey:
IBRIMMDNSPFZMB-UHFFFAOYSA-N

DeepSMILES:
COCCCCcc6cccc6

Functional groups:
COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP-Likeness score: 0.342

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Chemical structure download