2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol

C16H16N2O4 — CID 135473163

IUPAC2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C16H16N2O4/c1-21-13-7-3-5-11(15(13)19)9-17-18-10-12-6-4-8-14(22-2)16(12)20/h3-10,19-20H,1-2H3/b17-9+,18-10+
InChIKeyAACLWARNDYMNGI-BEQMOXJMSA-N
MW300.31 g/mol
LogP2.57
Rot. Bonds5

About 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol

2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135473163) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135473163
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C16H16N2O4/c1-21-13-7-3-5-11(15(13)19)9-17-18-10-12-6-4-8-14(22-2)16(12)20/h3-10,19-20H,1-2H3/b17-9+,18-10+
InChIKeyAACLWARNDYMNGI-BEQMOXJMSA-N
XLogP2.57
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
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'}

Analyze 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
manganese(2+);2-methanehydrazonoyl-6-methoxyphenol;dichloride
CID 162116939
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-trimethylazanium iodide
CID 135534546
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
(E)-(2-hydroxy-3-methoxyphenyl)methylideneurea
CID 137275710
2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
3-[(E)-2-[(E)-[2,3-dihydroxy-4-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenyl]methylideneamino]oxyethoxyiminomethyl]-6-[(E)-2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxyethoxyiminomethyl]benzene-1,2-diol
CID 177489215
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-hydroxy-3-methoxybenzaldehyde
CID 8991

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol (CID 135473163) is 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/N=C/c2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is AACLWARNDYMNGI-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-13-7-3-5-11(15(13)19)9-17-18-10-12-6-4-8-14(22-2)16(12)20/h3-10,19-20H,1-2H3/b17-9+,18-10+.
What are the key properties of 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 300.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135473163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).