2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol

C17H18N2O4 — CID 135821844

IUPAC2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCOc1cc(C=N/N=C/c2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-8-12(9-16(22-2)17(15)23-3)10-18-19-11-13-6-4-5-7-14(13)20/h4-11,20H,1-3H3/b18-10?,19-11+
InChIKeyUQCABLGCJJURHP-HEJMHIKZSA-N
MW314.34 g/mol
LogP2.87
Rot. Bonds6

About 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol

2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135821844) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID135821844
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCOc1cc(C=N/N=C/c2ccccc2O)cc(OC)c1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-8-12(9-16(22-2)17(15)23-3)10-18-19-11-13-6-4-5-7-14(13)20/h4-11,20H,1-3H3/b18-10?,19-11+
InChIKeyUQCABLGCJJURHP-HEJMHIKZSA-N
XLogP2.87
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.87
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
2-[[(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 3949149
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
2,4-dichloro-6-[[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 2796783
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
2-[(Z)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135478785
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 135651324
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol (CID 135821844) is 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol is COc1cc(C=N/N=C/c2ccccc2O)cc(OC)c1OC.
What is the InChIKey of 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is UQCABLGCJJURHP-HEJMHIKZSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-15-8-12(9-16(22-2)17(15)23-3)10-18-19-11-13-6-4-5-7-14(13)20/h4-11,20H,1-3H3/b18-10?,19-11+.
What are the key properties of 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol?
2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 314.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135821844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).