2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol

C19H22N2O4 — CID 21991

IUPAC2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol
SMILESCOc1cccc(C/N=C/C/C=N/Cc2cccc(OC)c2O)c1O
InChIInChI=1S/C19H22N2O4/c1-24-16-8-3-6-14(18(16)22)12-20-10-5-11-21-13-15-7-4-9-17(25-2)19(15)23/h3-4,6-11,22-23H,5,12-13H2,1-2H3/b20-10+,21-11+
InChIKeyAZZAALUJYLNNGA-CLVAPQHMSA-N
MW342.40 g/mol
LogP3.35
Rot. Bonds8

About 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol

2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol (PubChem CID 21991) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol
PubChem CID21991
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol
SMILESCOc1cccc(C/N=C/C/C=N/Cc2cccc(OC)c2O)c1O
InChIInChI=1S/C19H22N2O4/c1-24-16-8-3-6-14(18(16)22)12-20-10-5-11-21-13-15-7-4-9-17(25-2)19(15)23/h3-4,6-11,22-23H,5,12-13H2,1-2H3/b20-10+,21-11+
InChIKeyAZZAALUJYLNNGA-CLVAPQHMSA-N
XLogP3.35
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
6-Methoxy-alpha-(4-methylphenylimino)-O-cresol
CID 428968
1,2-Bis(2-hydroxy-3-methoxybenzylidene)hydrazine
CID 135473163
4-[(E)-{[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl]phenol
CID 1809906
Phenol, 2-[[[2-(3,4-dimethoxyphenyl)ethyl]imino]methyl]-
CID 2245956
2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]phenol
CID 2731298
N,N'-Bis(2-hydroxy-3-methoxy-benzylidene)propane-1,3-diamine
CID 256920
N,N'-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine
CID 5232078
Euk-207
CID 135469150
N,N'-Divanillylideneethylenediamine
CID 1809459
4-Hydroxy-3-methoxybenzaldehyde 2-((4-hydroxy-3-methoxyphenyl)methylene)hydrazone
CID 74331
4-(Cyclohexyliminomethyl)-2-methoxyphenol
CID 277393

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol (CID 21991) is 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol is COc1cccc(C/N=C/C/C=N/Cc2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol?
The InChIKey is AZZAALUJYLNNGA-CLVAPQHMSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-8-3-6-14(18(16)22)12-20-10-5-11-21-13-15-7-4-9-17(25-2)19(15)23/h3-4,6-11,22-23H,5,12-13H2,1-2H3/b20-10+,21-11+.
What are the key properties of 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol?
2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol has a molecular weight of 342.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-3-methoxyphenyl)methylimino]propylideneamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 21991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).