dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate

C25H31Cl2MnN2O6 — CID 139162468

IUPACdichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate
SMILESCC(C)(C)C(=O)[O-].COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].ClCCl.[Mn+3]
InChIInChI=1S/C19H22N2O4.C5H10O2.CH2Cl2.Mn/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;1-5(2,3)4(6)7;2-1-3;/h3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;1-3H3,(H,6,7);1H2;/q;;;+3/p-3/b20-12+,21-13+;;;
InChIKeyQTAUUXDLHGREHG-LSLBEZLLSA-K
MW581.38 g/mol
LogP2.98
Rot. Bonds8

About dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate

dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate (PubChem CID 139162468) has the molecular formula C25H31Cl2MnN2O6 and a molecular weight of 581.38 g/mol. Its IUPAC name is dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate.

Molecular Properties

Compound Namedichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate
PubChem CID139162468
Molecular FormulaC25H31Cl2MnN2O6
Molecular Weight581.38 g/mol
Exact Mass580.09
IUPAC Namedichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate
SMILESCC(C)(C)C(=O)[O-].COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].ClCCl.[Mn+3]
InChIInChI=1S/C19H22N2O4.C5H10O2.CH2Cl2.Mn/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;1-5(2,3)4(6)7;2-1-3;/h3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;1-3H3,(H,6,7);1H2;/q;;;+3/p-3/b20-12+,21-13+;;;
InChIKeyQTAUUXDLHGREHG-LSLBEZLLSA-K
XLogP2.98
TPSA129.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate 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

lanthanum(3+);methanol;2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate;nickel(2+);trinitrate
CID 139075236
zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
CID 139072510
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
bis(2-methoxy-6-[2-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenolate);bis(yttrium(3+));dinitrate
CID 139116350
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
dizinc;acetonitrile;lanthanum(3+);bis(2-methoxy-6-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diisothiocyanate;nitrate
CID 139167142
chloroform;hexakis(2,2-dimethylpropanoate);tetrakis(gadolinium(3+));bis((NE,2Z)-6-(hydroxymethyl)-N-[(3-methoxy-2-oxidophenyl)methylidene]pyridine-2-carbohydrazonate);bis(2-[(E)-[[6-(hydroxymethyl)pyridine-2-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate)
CID 139140295
methanol;bis(2-methoxy-6-[(E)-[(E)-(3-methoxy-2-oxidophenyl)methylidenehydrazinylidene]methyl]phenolate);nickel(2+);nickel(3+);yttrium;yttrium(3+);hexabenzoate
CID 139045398
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate?
The IUPAC name of dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate (CID 139162468) is dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate.
What is the SMILES notation for dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate?
The canonical SMILES for dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate is CC(C)(C)C(=O)[O-].COc1cccc(/C=N/CCC/N=C/c2cccc(OC)c2[O-])c1[O-].ClCCl.[Mn+3].
What is the InChIKey of dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate?
The InChIKey is QTAUUXDLHGREHG-LSLBEZLLSA-K. The full InChI is InChI=1S/C19H22N2O4.C5H10O2.CH2Cl2.Mn/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;1-5(2,3)4(6)7;2-1-3;/h3-4,6-9,12-13,22-23H,5,10-11H2,1-2H3;1-3H3,(H,6,7);1H2;/q;;;+3/p-3/b20-12+,21-13+;;;.
What are the key properties of dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate?
dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate has a molecular weight of 581.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate is sourced from PubChem (CID 139162468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).