bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium

C26H26N2O7V — CID 170896531

IUPACbis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium
SMILESCOc1cccc(/C=N/Cc2ccco2)c1O.COc1cccc(/C=N\Cc2ccco2)c1O.O=[V]
InChIInChI=1S/2C13H13NO3.O.V/c2*1-16-12-6-2-4-10(13(12)15)8-14-9-11-5-3-7-17-11;;/h2*2-8,15H,9H2,1H3;;/b14-8+;14-8-;;
InChIKeyHJLVUDWPXJRCJA-LHLQOPPDSA-N
MW529.45 g/mol
LogP5.10
Rot. Bonds8

About bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium

bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium (PubChem CID 170896531) has the molecular formula C26H26N2O7V and a molecular weight of 529.45 g/mol. Its IUPAC name is bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium.

Molecular Properties

Compound Namebis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium
PubChem CID170896531
Molecular FormulaC26H26N2O7V
Molecular Weight529.45 g/mol
Exact Mass529.12
IUPAC Namebis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium
SMILESCOc1cccc(/C=N/Cc2ccco2)c1O.COc1cccc(/C=N\Cc2ccco2)c1O.O=[V]
InChIInChI=1S/2C13H13NO3.O.V/c2*1-16-12-6-2-4-10(13(12)15)8-14-9-11-5-3-7-17-11;;/h2*2-8,15H,9H2,1H3;;/b14-8+;14-8-;;
InChIKeyHJLVUDWPXJRCJA-LHLQOPPDSA-N
XLogP5.10
TPSA126.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.45
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[(3,4-dimethoxyphenyl)methyliminomethyl]-6-methoxyphenol
CID 135595556
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
2-[2-[bis[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenol
CID 135509884
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[2-(dihydroxyamino)ethyliminomethyl]-6-methoxyphenol
CID 136908274
2-methoxy-6-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818063
2-[[4-(diethylaminomethyl)phenyl]methyliminomethyl]-6-methoxyphenol
CID 135855331
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390

Frequently Asked Questions

What is the IUPAC name of bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium?
The IUPAC name of bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium (CID 170896531) is bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium.
What is the SMILES notation for bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium?
The canonical SMILES for bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium is COc1cccc(/C=N/Cc2ccco2)c1O.COc1cccc(/C=N\Cc2ccco2)c1O.O=[V].
What is the InChIKey of bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium?
The InChIKey is HJLVUDWPXJRCJA-LHLQOPPDSA-N. The full InChI is InChI=1S/2C13H13NO3.O.V/c2*1-16-12-6-2-4-10(13(12)15)8-14-9-11-5-3-7-17-11;;/h2*2-8,15H,9H2,1H3;;/b14-8+;14-8-;;.
What are the key properties of bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium?
bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium has a molecular weight of 529.45 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(furan-2-ylmethyliminomethyl)-6-methoxyphenol);oxovanadium is sourced from PubChem (CID 170896531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).