Summary

IMPPAT Phytochemical identifier: IMPHY005029

Phytochemical name: 4-(3-Hydroxypropyl)-2,6-dimethoxyphenol

Synonymous chemical names:
dihydrosinapyl alcohol

External chemical identifiers:
CID:529893, ChEMBL:CHEMBL3793371, ZINC:ZINC000002566016, SureChEMBL:SCHEMBL2914283, MolPort-009-681-276

---

Chemical structure information

SMILES:
OCCCc1cc(OC)c(c(c1)OC)O

InChI:
InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3

InChIKey:
PHOPGVYKZWPIGA-UHFFFAOYSA-N

DeepSMILES:
OCCCcccOC))ccc6)OC)))O

Functional groups:
CO, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP-Likeness score: 0.86

---

Chemical structure download