2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate

C22H18N2O4-2 — CID 101450590

IUPAC2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
SMILESCOc1cc(/N=C/c2ccccc2[O-])c(/N=C/c2ccccc2[O-])cc1OC
InChIInChI=1S/C22H20N2O4/c1-27-21-11-17(23-13-15-7-3-5-9-19(15)25)18(12-22(21)28-2)24-14-16-8-4-6-10-20(16)26/h3-14,25-26H,1-2H3/p-2/b23-13+,24-14+
InChIKeyMEEPQTVSIQYOEJ-RNIAWFEPSA-L
MW374.40 g/mol
LogP3.35
Rot. Bonds6

About 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate

2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate (PubChem CID 101450590) has the molecular formula C22H18N2O4-2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate.

Molecular Properties

Compound Name2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
PubChem CID101450590
Molecular FormulaC22H18N2O4-2
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
SMILESCOc1cc(/N=C/c2ccccc2[O-])c(/N=C/c2ccccc2[O-])cc1OC
InChIInChI=1S/C22H20N2O4/c1-27-21-11-17(23-13-15-7-3-5-9-19(15)25)18(12-22(21)28-2)24-14-16-8-4-6-10-20(16)26/h3-14,25-26H,1-2H3/p-2/b23-13+,24-14+
InChIKeyMEEPQTVSIQYOEJ-RNIAWFEPSA-L
XLogP3.35
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

nickel;2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate
CID 58725494
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
iron(3+);5-methoxy-2-[[2-[(4-methoxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;chloride
CID 50908685
tetrakis(2,6-dimethylphenolate);bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(titanium(4+))
CID 139136922
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
1-(2-bromophenyl)-N-(2-methoxyphenyl)methanimine
CID 71359959
zinc;methanol;2-[[2-[2-[2-[(2-oxidophenyl)iminomethyl]phenoxy]ethoxy]phenyl]methylideneamino]phenolate
CID 139175016
ethanol;2-[[4-nitro-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;bis(oxygen(2-));uranium
CID 139170496
5-chloro-2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]diazenyl]phenolate;nickel(2+)
CID 23631665
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)methanimine
CID 4646455
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
The IUPAC name of 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate (CID 101450590) is 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate.
What is the SMILES notation for 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
The canonical SMILES for 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate is COc1cc(/N=C/c2ccccc2[O-])c(/N=C/c2ccccc2[O-])cc1OC.
What is the InChIKey of 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
The InChIKey is MEEPQTVSIQYOEJ-RNIAWFEPSA-L. The full InChI is InChI=1S/C22H20N2O4/c1-27-21-11-17(23-13-15-7-3-5-9-19(15)25)18(12-22(21)28-2)24-14-16-8-4-6-10-20(16)26/h3-14,25-26H,1-2H3/p-2/b23-13+,24-14+.
What are the key properties of 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate?
2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate has a molecular weight of 374.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-dimethoxy-2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate is sourced from PubChem (CID 101450590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).