cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate

C15H15CsNO+ — CID 58233243

IUPACcesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate
SMILESCc1ccc(C)c(/[NH+]=C/c2ccccc2[O-])c1.[Cs+]
InChIInChI=1S/C15H15NO.Cs/c1-11-7-8-12(2)14(9-11)16-10-13-5-3-4-6-15(13)17;/h3-10,17H,1-2H3;/q;+1/b16-10+;
InChIKeySFPOWFISEFCWPX-QFHYWFJHSA-N
MW358.20 g/mol
LogP-1.79
Rot. Bonds2

About cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate

cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate (PubChem CID 58233243) has the molecular formula C15H15CsNO+ and a molecular weight of 358.20 g/mol. Its IUPAC name is cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate.

Molecular Properties

Compound Namecesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate
PubChem CID58233243
Molecular FormulaC15H15CsNO+
Molecular Weight358.20 g/mol
Exact Mass358.02
IUPAC Namecesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate
SMILESCc1ccc(C)c(/[NH+]=C/c2ccccc2[O-])c1.[Cs+]
InChIInChI=1S/C15H15NO.Cs/c1-11-7-8-12(2)14(9-11)16-10-13-5-3-4-6-15(13)17;/h3-10,17H,1-2H3;/q;+1/b16-10+;
InChIKeySFPOWFISEFCWPX-QFHYWFJHSA-N
XLogP-1.79
TPSA37.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethylphenyl)azaniumylidenemethyl]phenolate;lithium(1-)
CID 140559041
lithium(1-);2-[(3-methylphenyl)azaniumylidenemethyl]phenolate
CID 140559057
methanol;tetrakis(4-methyl-2-[(2-oxidophenyl)methylideneamino]phenolate);tetrakis(nickel(2+))
CID 139177480
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
bis(2-formylphenolate);palladium(2+)
CID 165347801
potassium 2,4-dimethylphenolate
CID 23677781
2,5-dimethylbenzaldehyde;ethane
CID 142106726
trisodium;2-methylphenolate;4-methylphenolate
CID 159956775
bis(2-[[2-[(2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);uranium(4+)
CID 139115041
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430

Frequently Asked Questions

What is the IUPAC name of cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate?
The IUPAC name of cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate (CID 58233243) is cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate.
What is the SMILES notation for cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate?
The canonical SMILES for cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate is Cc1ccc(C)c(/[NH+]=C/c2ccccc2[O-])c1.[Cs+].
What is the InChIKey of cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate?
The InChIKey is SFPOWFISEFCWPX-QFHYWFJHSA-N. The full InChI is InChI=1S/C15H15NO.Cs/c1-11-7-8-12(2)14(9-11)16-10-13-5-3-4-6-15(13)17;/h3-10,17H,1-2H3;/q;+1/b16-10+;.
What are the key properties of cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate?
cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate has a molecular weight of 358.20 g/mol, XLogP of -1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-[(2,5-dimethylphenyl)azaniumylidenemethyl]phenolate is sourced from PubChem (CID 58233243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).