2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol

C17H16N4O2 — CID 135771183

IUPAC2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
SMILESCCOc1cccc(/C=N/n2cnnc2-c2ccccc2)c1O
InChIInChI=1S/C17H16N4O2/c1-2-23-15-10-6-9-14(16(15)22)11-19-21-12-18-20-17(21)13-7-4-3-5-8-13/h3-12,22H,2H2,1H3/b19-11+
InChIKeyAWGJWERQDXQSOY-YBFXNURJSA-N
MW308.34 g/mol
LogP2.93
Rot. Bonds5

About 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol

2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol (PubChem CID 135771183) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
PubChem CID135771183
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
SMILESCCOc1cccc(/C=N/n2cnnc2-c2ccccc2)c1O
InChIInChI=1S/C17H16N4O2/c1-2-23-15-10-6-9-14(16(15)22)11-19-21-12-18-20-17(21)13-7-4-3-5-8-13/h3-12,22H,2H2,1H3/b19-11+
InChIKeyAWGJWERQDXQSOY-YBFXNURJSA-N
XLogP2.93
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(3-ethoxy-4-methoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028006
3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135452571
2-[(E)-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]-6-ethoxyphenol
CID 135571875
2,6-dimethoxy-4-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135771186
(Z)-1-(2-bromophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027901
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
1-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]naphthalen-2-ol
CID 135771174
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-ethoxyphenol
CID 2868303
3-(4-chlorophenyl)-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 1415188
(Z)-1-(4-methoxy-3-propoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028321

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol (CID 135771183) is 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol is CCOc1cccc(/C=N/n2cnnc2-c2ccccc2)c1O.
What is the InChIKey of 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
The InChIKey is AWGJWERQDXQSOY-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-15-10-6-9-14(16(15)22)11-19-21-12-18-20-17(21)13-7-4-3-5-8-13/h3-12,22H,2H2,1H3/b19-11+.
What are the key properties of 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol?
2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol has a molecular weight of 308.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(E)-(3-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol is sourced from PubChem (CID 135771183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).