Summary

IMPPAT Phytochemical identifier: IMPHY015305

Phytochemical name: 3-(3,4-Dimethoxyphenyl)-1-propanol

Synonymous chemical names:
3-(3,4-dimethoxyphenyl)-1-propanol

External chemical identifiers:
CID:77528, ChEMBL:CHEMBL2088633, ZINC:ZINC000002242701, FDASRS:327PD521ZL, SureChEMBL:SCHEMBL81112, MolPort-001-790-835

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Chemical structure information

SMILES:
OCCCc1ccc(c(c1)OC)OC

InChI:
InChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3

InChIKey:
ZISWRXJZUKDIOO-UHFFFAOYSA-N

DeepSMILES:
OCCCcccccc6)OC)))OC

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: Methoxybenzenes

NP-Likeness score: 0.43

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Chemical structure download