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

C23H31ClLiO7P — CID 173245190

IUPAClithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOC(C)Oc1cc(OC(C)OC)c(PC(=O)c2c(C)cccc2Cl)c(OC(C)OC)c1.[H-].[Li+]
InChIInChI=1S/C23H30ClO7P.Li.H/c1-13-9-8-10-18(24)21(13)23(25)32-22-19(30-15(3)27-6)11-17(29-14(2)26-5)12-20(22)31-16(4)28-7;;/h8-12,14-16,32H,1-7H3;;/q;+1;-1
InChIKeyUBSLTGBDCPQLIT-UHFFFAOYSA-N
MW492.86 g/mol
LogP2.02
Rot. Bonds12

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

lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173245190) has the molecular formula C23H31ClLiO7P and a molecular weight of 492.86 g/mol. Its IUPAC name is lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173245190
Molecular FormulaC23H31ClLiO7P
Molecular Weight492.86 g/mol
Exact Mass492.17
IUPAC Namelithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOC(C)Oc1cc(OC(C)OC)c(PC(=O)c2c(C)cccc2Cl)c(OC(C)OC)c1.[H-].[Li+]
InChIInChI=1S/C23H30ClO7P.Li.H/c1-13-9-8-10-18(24)21(13)23(25)32-22-19(30-15(3)27-6)11-17(29-14(2)26-5)12-20(22)31-16(4)28-7;;/h8-12,14-16,32H,1-7H3;;/q;+1;-1
InChIKeyUBSLTGBDCPQLIT-UHFFFAOYSA-N
XLogP2.02
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.86
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
CID 70014966
CID 70014966
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
lithium (4-tert-butyl-2,6-dimethylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 22460046
lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 18514236
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride (CID 173245190) is lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride is COC(C)Oc1cc(OC(C)OC)c(PC(=O)c2c(C)cccc2Cl)c(OC(C)OC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is UBSLTGBDCPQLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClO7P.Li.H/c1-13-9-8-10-18(24)21(13)23(25)32-22-19(30-15(3)27-6)11-17(29-14(2)26-5)12-20(22)31-16(4)28-7;;/h8-12,14-16,32H,1-7H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 492.86 g/mol, XLogP of 2.02, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).