lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride

C20H25ClLiO5P — CID 173245877

IUPAClithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
SMILESCCOc1cc(OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCC)c1.[H-].[Li+]
InChIInChI=1S/C20H24ClO5P.Li.H/c1-5-24-13-11-16(25-6-2)19(17(12-13)26-7-3)27-20(22)18-14(21)9-8-10-15(18)23-4;;/h8-12,27H,5-7H2,1-4H3;;/q;+1;-1
InChIKeyFHNFZOPFLHKEEO-UHFFFAOYSA-N
MW418.78 g/mol
LogP1.81
Rot. Bonds10

About lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride

lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173245877) has the molecular formula C20H25ClLiO5P and a molecular weight of 418.78 g/mol. Its IUPAC name is lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
PubChem CID173245877
Molecular FormulaC20H25ClLiO5P
Molecular Weight418.78 g/mol
Exact Mass418.13
IUPAC Namelithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
SMILESCCOc1cc(OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCC)c1.[H-].[Li+]
InChIInChI=1S/C20H24ClO5P.Li.H/c1-5-24-13-11-16(25-6-2)19(17(12-13)26-7-3)27-20(22)18-14(21)9-8-10-15(18)23-4;;/h8-12,27H,5-7H2,1-4H3;;/q;+1;-1
InChIKeyFHNFZOPFLHKEEO-UHFFFAOYSA-N
XLogP1.81
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.78
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515178
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
CID 70015738
CID 70015738
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride (CID 173245877) is lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride is CCOc1cc(OCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is FHNFZOPFLHKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClO5P.Li.H/c1-5-24-13-11-16(25-6-2)19(17(12-13)26-7-3)27-20(22)18-14(21)9-8-10-15(18)23-4;;/h8-12,27H,5-7H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride?
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 418.78 g/mol, XLogP of 1.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173245877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).