4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol

C22H20N2O2 — CID 135675850

IUPAC4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/N=C(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C22H20N2O2/c1-2-26-21-15-17(13-14-20(21)25)16-23-24-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25H,2H2,1H3/b23-16+
InChIKeyISYSACPWWWJLPF-XQNSMLJCSA-N
MW344.41 g/mol
LogP4.66
Rot. Bonds6

About 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol

4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol (PubChem CID 135675850) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
PubChem CID135675850
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=N/N=C(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C22H20N2O2/c1-2-26-21-15-17(13-14-20(21)25)16-23-24-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25H,2H2,1H3/b23-16+
InChIKeyISYSACPWWWJLPF-XQNSMLJCSA-N
XLogP4.66
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
4-[(E)-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 136928188
4-amino-N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 136859038
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135738480
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
4-[(3,5-dimethylphenyl)iminomethyl]-2-ethoxyphenol
CID 135722054
(1Z,4E)-5-(3-ethoxy-4-hydroxyphenyl)-1-hydroxy-1-phenylpenta-1,4-dien-3-one
CID 171390733
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135613300
2-[2-ethoxy-4-[(E)-[(E)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]-N,N-dimethylacetamide
CID 6893253
benzyl N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]carbamimidothioate
CID 168610950

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol (CID 135675850) is 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol is CCOc1cc(/C=N/N=C(c2ccccc2)c2ccccc2)ccc1O.
What is the InChIKey of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol?
The InChIKey is ISYSACPWWWJLPF-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-26-21-15-17(13-14-20(21)25)16-23-24-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25H,2H2,1H3/b23-16+.
What are the key properties of 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol?
4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol has a molecular weight of 344.41 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(benzhydrylidenehydrazinylidene)methyl]-2-ethoxyphenol is sourced from PubChem (CID 135675850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).