Summary

IMPPAT Phytochemical identifier: IMPHY005189

Phytochemical name: p-Hydroxybenzylmethylether

Synonymous chemical names:
p-hydroxybenzylmethyl-ether, p-hydroxybenzylmethylether

External chemical identifiers:
CID:23050675, SureChEMBL:SCHEMBL8389404

---

Chemical structure information

SMILES:
Oc1ccc(cc1)CCOCCc1ccc(cc1)O

InChI:
InChI=1S/C16H18O3/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8,17-18H,9-12H2

InChIKey:
IGCQTZQTGKNFLX-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCOCCcccccc6))O

Functional groups:
COC, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCOCCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCOCCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCCCC2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Tyrosols and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 0.122

---

Chemical structure download