Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID005690
Phytochemical name: 2-Ethylphenol
Synonymous chemical names:ethyl-phenol, 2-ethylphenol, 2-ethyl phenol
External chemical identifiers:CID:CID_6997, ChEMBL:CHEMBL321029, ChEBI:CHEBI:34275, ZINC:ZINC000001706027, FDASRS:355O0P4JU7, SureChEMBL:SCHEMBL51108, MolPort-001-791-601
Chemical structure information
SMILES:
CCc1ccccc1OInChI:
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3InChIKey:
IXQGCWUGDFDQMF-UHFFFAOYSA-NDeepSMILES:
CCcccccc6OFunctional groups:
cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire Class: Phenols
ClassyFire Subclass: 1-hydroxy-4-unsubstituted benzenoids
NP Classifier Biosynthetic pathway: Polyketides
NP-Likeness score: 0.348
Chemical structure download
