lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride

C26H37ClLiO8P — CID 173243351

IUPAClithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCCOC(C)Oc1cc(OC(C)OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OC(C)OCC)c1.[H-].[Li+]
InChIInChI=1S/C26H36ClO8P.Li.H/c1-8-30-16(4)33-19-14-22(34-17(5)31-9-2)25(23(15-19)35-18(6)32-10-3)36-26(28)24-20(27)12-11-13-21(24)29-7;;/h11-18,36H,8-10H2,1-7H3;;/q;+1;-1
InChIKeyRVYAPYGWVHWYIW-UHFFFAOYSA-N
MW550.94 g/mol
LogP2.89
Rot. Bonds16

About lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride

lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173243351) has the molecular formula C26H37ClLiO8P and a molecular weight of 550.94 g/mol. Its IUPAC name is lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173243351
Molecular FormulaC26H37ClLiO8P
Molecular Weight550.94 g/mol
Exact Mass550.21
IUPAC Namelithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCCOC(C)Oc1cc(OC(C)OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OC(C)OCC)c1.[H-].[Li+]
InChIInChI=1S/C26H36ClO8P.Li.H/c1-8-30-16(4)33-19-14-22(34-17(5)31-9-2)25(23(15-19)35-18(6)32-10-3)36-26(28)24-20(27)12-11-13-21(24)29-7;;/h11-18,36H,8-10H2,1-7H3;;/q;+1;-1
InChIKeyRVYAPYGWVHWYIW-UHFFFAOYSA-N
XLogP2.89
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.94
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70013626
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 18514236

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride (CID 173243351) is lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride is CCOC(C)Oc1cc(OC(C)OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OC(C)OCC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is RVYAPYGWVHWYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClO8P.Li.H/c1-8-30-16(4)33-19-14-22(34-17(5)31-9-2)25(23(15-19)35-18(6)32-10-3)36-26(28)24-20(27)12-11-13-21(24)29-7;;/h11-18,36H,8-10H2,1-7H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 550.94 g/mol, XLogP of 2.89, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173243351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).