oxovanadium;bis(2-(propyliminomethyl)phenol)

C20H26N2O3V — CID 5242411

IUPACoxovanadium;bis(2-(propyliminomethyl)phenol)
SMILESCCC/N=C/c1ccccc1O.CCC/N=C/c1ccccc1O.O=[V]
InChIInChI=1S/2C10H13NO.O.V/c2*1-2-7-11-8-9-5-3-4-6-10(9)12;;/h2*3-6,8,12H,2,7H2,1H3;;/b2*11-8+;;
InChIKeyYGDUFLDGOAGACG-WRGLMQMPSA-N
MW393.38 g/mol
LogP4.32
Rot. Bonds6

About oxovanadium;bis(2-(propyliminomethyl)phenol)

oxovanadium;bis(2-(propyliminomethyl)phenol) (PubChem CID 5242411) has the molecular formula C20H26N2O3V and a molecular weight of 393.38 g/mol. Its IUPAC name is oxovanadium;bis(2-(propyliminomethyl)phenol).

Molecular Properties

Compound Nameoxovanadium;bis(2-(propyliminomethyl)phenol)
PubChem CID5242411
Molecular FormulaC20H26N2O3V
Molecular Weight393.38 g/mol
Exact Mass393.14
IUPAC Nameoxovanadium;bis(2-(propyliminomethyl)phenol)
SMILESCCC/N=C/c1ccccc1O.CCC/N=C/c1ccccc1O.O=[V]
InChIInChI=1S/2C10H13NO.O.V/c2*1-2-7-11-8-9-5-3-4-6-10(9)12;;/h2*3-6,8,12H,2,7H2,1H3;;/b2*11-8+;;
InChIKeyYGDUFLDGOAGACG-WRGLMQMPSA-N
XLogP4.32
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
CID 137241052
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 135852922
sodium 2-(propyliminomethyl)phenolate
CID 102119842

Frequently Asked Questions

What is the IUPAC name of oxovanadium;bis(2-(propyliminomethyl)phenol)?
The IUPAC name of oxovanadium;bis(2-(propyliminomethyl)phenol) (CID 5242411) is oxovanadium;bis(2-(propyliminomethyl)phenol).
What is the SMILES notation for oxovanadium;bis(2-(propyliminomethyl)phenol)?
The canonical SMILES for oxovanadium;bis(2-(propyliminomethyl)phenol) is CCC/N=C/c1ccccc1O.CCC/N=C/c1ccccc1O.O=[V].
What is the InChIKey of oxovanadium;bis(2-(propyliminomethyl)phenol)?
The InChIKey is YGDUFLDGOAGACG-WRGLMQMPSA-N. The full InChI is InChI=1S/2C10H13NO.O.V/c2*1-2-7-11-8-9-5-3-4-6-10(9)12;;/h2*3-6,8,12H,2,7H2,1H3;;/b2*11-8+;;.
What are the key properties of oxovanadium;bis(2-(propyliminomethyl)phenol)?
oxovanadium;bis(2-(propyliminomethyl)phenol) has a molecular weight of 393.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium;bis(2-(propyliminomethyl)phenol) is sourced from PubChem (CID 5242411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).