lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide

C13H18LiO3P — CID 141022821

IUPAClithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide
SMILESCOc1c(C)cc(C)c(OC)c1C(=O)CC[PH-].[Li+]
InChIInChI=1S/C13H18O3P.Li/c1-8-7-9(2)13(16-4)11(12(8)15-3)10(14)5-6-17;/h7,17H,5-6H2,1-4H3;/q-1;+1
InChIKeyGTONLRPFZKRJJF-UHFFFAOYSA-N
MW260.20 g/mol
LogP0.04
Rot. Bonds5

About lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide

lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide (PubChem CID 141022821) has the molecular formula C13H18LiO3P and a molecular weight of 260.20 g/mol. Its IUPAC name is lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide.

Molecular Properties

Compound Namelithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide
PubChem CID141022821
Molecular FormulaC13H18LiO3P
Molecular Weight260.20 g/mol
Exact Mass260.12
IUPAC Namelithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide
SMILESCOc1c(C)cc(C)c(OC)c1C(=O)CC[PH-].[Li+]
InChIInChI=1S/C13H18O3P.Li/c1-8-7-9(2)13(16-4)11(12(8)15-3)10(14)5-6-17;/h7,17H,5-6H2,1-4H3;/q-1;+1
InChIKeyGTONLRPFZKRJJF-UHFFFAOYSA-N
XLogP0.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
CID 159041821
(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
CID 87923708
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
1-(2-methoxy-3,4,6-trimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830919
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(4-methoxy-3,5-dimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830914
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)butan-1-one
CID 83057195

Frequently Asked Questions

What is the IUPAC name of lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide?
The IUPAC name of lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide (CID 141022821) is lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide.
What is the SMILES notation for lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide?
The canonical SMILES for lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide is COc1c(C)cc(C)c(OC)c1C(=O)CC[PH-].[Li+].
What is the InChIKey of lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide?
The InChIKey is GTONLRPFZKRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3P.Li/c1-8-7-9(2)13(16-4)11(12(8)15-3)10(14)5-6-17;/h7,17H,5-6H2,1-4H3;/q-1;+1.
What are the key properties of lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide?
lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide has a molecular weight of 260.20 g/mol, XLogP of 0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide is sourced from PubChem (CID 141022821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).