acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese

C20H24MnN2O6 — CID 135509459

IUPACacetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
SMILESCC(=O)O.COc1ccc(/C=N/CC/N=C/c2ccc(OC)cc2O)c(O)c1.[Mn]
InChIInChI=1S/C18H20N2O4.C2H4O2.Mn/c1-23-15-5-3-13(17(21)9-15)11-19-7-8-20-12-14-4-6-16(24-2)10-18(14)22;1-2(3)4;/h3-6,9-12,21-22H,7-8H2,1-2H3;1H3,(H,3,4);/b19-11+,20-12+;;
InChIKeyLTOTXUIDCIJJEP-GAMUHHASSA-N
MW443.36 g/mol
LogP2.74
Rot. Bonds7

About acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese

acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese (PubChem CID 135509459) has the molecular formula C20H24MnN2O6 and a molecular weight of 443.36 g/mol. Its IUPAC name is acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese.

Molecular Properties

Compound Nameacetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
PubChem CID135509459
Molecular FormulaC20H24MnN2O6
Molecular Weight443.36 g/mol
Exact Mass443.10
IUPAC Nameacetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
SMILESCC(=O)O.COc1ccc(/C=N/CC/N=C/c2ccc(OC)cc2O)c(O)c1.[Mn]
InChIInChI=1S/C18H20N2O4.C2H4O2.Mn/c1-23-15-5-3-13(17(21)9-15)11-19-7-8-20-12-14-4-6-16(24-2)10-18(14)22;1-2(3)4;/h3-6,9-12,21-22H,7-8H2,1-2H3;1H3,(H,3,4);/b19-11+,20-12+;;
InChIKeyLTOTXUIDCIJJEP-GAMUHHASSA-N
XLogP2.74
TPSA120.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese 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-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylpentanoic acid
CID 135937367
5-methoxy-2-[2-[(4-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 102108359
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
2-(2-hydroxy-4-methoxyphenyl)ethenone
CID 176541645
2-(octadecyliminomethyl)-5-undecoxyphenol
CID 136694989
2-[2-[4-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]ethylsulfanyl]butylsulfanyl]ethyliminomethyl]-4-methoxyphenol
CID 137082870
5-nonadecoxy-2-(octadecyliminomethyl)phenol
CID 136694995

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese?
The IUPAC name of acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese (CID 135509459) is acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese.
What is the SMILES notation for acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese?
The canonical SMILES for acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese is CC(=O)O.COc1ccc(/C=N/CC/N=C/c2ccc(OC)cc2O)c(O)c1.[Mn].
What is the InChIKey of acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese?
The InChIKey is LTOTXUIDCIJJEP-GAMUHHASSA-N. The full InChI is InChI=1S/C18H20N2O4.C2H4O2.Mn/c1-23-15-5-3-13(17(21)9-15)11-19-7-8-20-12-14-4-6-16(24-2)10-18(14)22;1-2(3)4;/h3-6,9-12,21-22H,7-8H2,1-2H3;1H3,(H,3,4);/b19-11+,20-12+;;.
What are the key properties of acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese?
acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese has a molecular weight of 443.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese is sourced from PubChem (CID 135509459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).