lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone

C17H19LiO3P+ — CID 18514916

IUPAClithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
SMILESCOc1cccc(OC)c1C(=O)Pc1c(C)cccc1C.[Li+]
InChIInChI=1S/C17H19O3P.Li/c1-11-7-5-8-12(2)16(11)21-17(18)15-13(19-3)9-6-10-14(15)20-4;/h5-10,21H,1-4H3;/q;+1
InChIKeyVUHGWCBRGKOGIT-UHFFFAOYSA-N
MW309.25 g/mol
LogP0.47
Rot. Bonds5

About lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone

lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone (PubChem CID 18514916) has the molecular formula C17H19LiO3P+ and a molecular weight of 309.25 g/mol. Its IUPAC name is lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone.

Molecular Properties

Compound Namelithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
PubChem CID18514916
Molecular FormulaC17H19LiO3P+
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Namelithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
SMILESCOc1cccc(OC)c1C(=O)Pc1c(C)cccc1C.[Li+]
InChIInChI=1S/C17H19O3P.Li/c1-11-7-5-8-12(2)16(11)21-17(18)15-13(19-3)9-6-10-14(15)20-4;/h5-10,21H,1-4H3;/q;+1
InChIKeyVUHGWCBRGKOGIT-UHFFFAOYSA-N
XLogP0.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 50.47
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

lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
CID 70014251
CID 70014251
CID 70014966
CID 70014966
CID 70015745
CID 70015745
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
[3,5-dibenzoyloxy-4-(2,6-dimethoxybenzoyl)phosphanylphenyl] benzoate
CID 139895708
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
CID 173245136
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
CID 70016726
CID 70016726

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone?
The IUPAC name of lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone (CID 18514916) is lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone.
What is the SMILES notation for lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone?
The canonical SMILES for lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone is COc1cccc(OC)c1C(=O)Pc1c(C)cccc1C.[Li+].
What is the InChIKey of lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone?
The InChIKey is VUHGWCBRGKOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P.Li/c1-11-7-5-8-12(2)16(11)21-17(18)15-13(19-3)9-6-10-14(15)20-4;/h5-10,21H,1-4H3;/q;+1.
What are the key properties of lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone?
lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone has a molecular weight of 309.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone is sourced from PubChem (CID 18514916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).