2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol

C17H18N2O6 — CID 136914415

IUPAC2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C=NOCON=Cc2cc(OC)ccc2O)c1
InChIInChI=1S/C17H18N2O6/c1-22-14-3-5-16(20)12(7-14)9-18-24-11-25-19-10-13-8-15(23-2)4-6-17(13)21/h3-10,20-21H,11H2,1-2H3
InChIKeyWZYUSVQOCJYZDQ-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.47
Rot. Bonds8

About 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol

2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol (PubChem CID 136914415) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
PubChem CID136914415
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C=NOCON=Cc2cc(OC)ccc2O)c1
InChIInChI=1S/C17H18N2O6/c1-22-14-3-5-16(20)12(7-14)9-18-24-11-25-19-10-13-8-15(23-2)4-6-17(13)21/h3-10,20-21H,11H2,1-2H3
InChIKeyWZYUSVQOCJYZDQ-UHFFFAOYSA-N
XLogP2.47
TPSA102.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
1,2,3-tris[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]guanidine
CID 135699356
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
CID 135606976
bis(copper(1+));bis(N'-ethyl-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]carbamimidothioate)
CID 135484932
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol (CID 136914415) is 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol is COc1ccc(O)c(C=NOCON=Cc2cc(OC)ccc2O)c1.
What is the InChIKey of 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol?
The InChIKey is WZYUSVQOCJYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-22-14-3-5-16(20)12(7-14)9-18-24-11-25-19-10-13-8-15(23-2)4-6-17(13)21/h3-10,20-21H,11H2,1-2H3.
What are the key properties of 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol?
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol has a molecular weight of 346.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol is sourced from PubChem (CID 136914415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).