dilithium;2-(2-methanidylphenyl)ethanolate

C9H10Li2O — CID 11263573

IUPACdilithium;2-(2-methanidylphenyl)ethanolate
SMILES[CH2-]c1ccccc1CC[O-].[Li+].[Li+]
InChIInChI=1S/C9H10O.2Li/c1-8-4-2-3-5-9(8)6-7-10;;/h2-5H,1,6-7H2;;/q-2;2*+1
InChIKeyIXFPWWRPAXDCIV-UHFFFAOYSA-N
MW148.06 g/mol
LogP-5.22
Rot. Bonds2

About dilithium;2-(2-methanidylphenyl)ethanolate

dilithium;2-(2-methanidylphenyl)ethanolate (PubChem CID 11263573) has the molecular formula C9H10Li2O and a molecular weight of 148.06 g/mol. Its IUPAC name is dilithium;2-(2-methanidylphenyl)ethanolate.

Molecular Properties

Compound Namedilithium;2-(2-methanidylphenyl)ethanolate
PubChem CID11263573
Molecular FormulaC9H10Li2O
Molecular Weight148.06 g/mol
Exact Mass148.11
IUPAC Namedilithium;2-(2-methanidylphenyl)ethanolate
SMILES[CH2-]c1ccccc1CC[O-].[Li+].[Li+]
InChIInChI=1S/C9H10O.2Li/c1-8-4-2-3-5-9(8)6-7-10;;/h2-5H,1,6-7H2;;/q-2;2*+1
InChIKeyIXFPWWRPAXDCIV-UHFFFAOYSA-N
XLogP-5.22
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 5-5.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methanidylphenyl)ethanamine;palladium
CID 175142647
magnesium;1-hexyl-2-methanidylbenzene;chloride
CID 88593119
cesium 2-[2-(2-methylpropyl)phenyl]ethanolate
CID 145237019
ethane;ethylbenzene;1-ethyl-2-methanidylbenzene;methane;propylbenzene;tris(yttrium)
CID 159679425
bromopalladium(1+);chloropalladium(1+);bis((2-methanidylphenyl)methanol);bis(triphenylphosphanium)
CID 157479759
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
lithium (2-methoxyphenyl)methanolate
CID 139799103
sodium 3-phenylpropan-1-olate
CID 23689377
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
CID 175749710
CID 175749710
1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
CID 11110991
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471

Frequently Asked Questions

What is the IUPAC name of dilithium;2-(2-methanidylphenyl)ethanolate?
The IUPAC name of dilithium;2-(2-methanidylphenyl)ethanolate (CID 11263573) is dilithium;2-(2-methanidylphenyl)ethanolate.
What is the SMILES notation for dilithium;2-(2-methanidylphenyl)ethanolate?
The canonical SMILES for dilithium;2-(2-methanidylphenyl)ethanolate is [CH2-]c1ccccc1CC[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-(2-methanidylphenyl)ethanolate?
The InChIKey is IXFPWWRPAXDCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.2Li/c1-8-4-2-3-5-9(8)6-7-10;;/h2-5H,1,6-7H2;;/q-2;2*+1.
What are the key properties of dilithium;2-(2-methanidylphenyl)ethanolate?
dilithium;2-(2-methanidylphenyl)ethanolate has a molecular weight of 148.06 g/mol, XLogP of -5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-(2-methanidylphenyl)ethanolate is sourced from PubChem (CID 11263573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).