Summary

IMPPAT Phytochemical identifier: IMPHY013292

Phytochemical name: 2-(Hydroxymethoxy)benzaldehyde

Synonymous chemical names:
hydroxymethoxybenzaldehyde

External chemical identifiers:
CID:18622957, SureChEMBL:SCHEMBL4354861

---

Chemical structure information

SMILES:
OCOc1ccccc1C=O

InChI:
InChI=1S/C8H8O3/c9-5-7-3-1-2-4-8(7)11-6-10/h1-5,10H,6H2

InChIKey:
HTXVTHBBURRYIT-UHFFFAOYSA-N

DeepSMILES:
OCOcccccc6C=O

Functional groups:
cC=O, cOCO

---

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: Phenol ethers

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1), Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives, Simple phenolic acids

NP-Likeness score: 0.804

---

Chemical structure download