Structural Complex
Chemical ID: A1I1N
IUPAC Name: 4-ethyl-2-methoxy-phenol
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccccc1
InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C9 H12 O2
Molecular weight: 152.190
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 1
Rotatable Bonds: 5
Heavy Atoms: 11
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 4-ethyl-2-methoxy-phenol
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
InChIKey InChI 1.06 CHWNEIVBYREQRF-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 CCc1ccc(O)c(OC)c1
SMILES CACTVS 3.385 CCc1ccc(O)c(OC)c1
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCc1ccc(c(c1)OC)O
SMILES OpenEye OEToolkits 2.0.7 CCc1ccc(c(c1)OC)O
Feedback Form
Name
Email
Institute
Feedback