lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride

C27H40LiO6P — CID 173245850

IUPAClithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
SMILESCOc1cccc(OC)c1C(=O)Pc1c(OCC(C)C)cc(OCC(C)C)cc1OCC(C)C.[H-].[Li+]
InChIInChI=1S/C27H39O6P.Li.H/c1-17(2)14-31-20-12-23(32-15-18(3)4)26(24(13-20)33-16-19(5)6)34-27(28)25-21(29-7)10-9-11-22(25)30-8;;/h9-13,17-19,34H,14-16H2,1-8H3;;/q;+1;-1
InChIKeyASJMXITTWYTYDP-UHFFFAOYSA-N
MW498.53 g/mol
LogP3.07
Rot. Bonds14

About lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173245850) has the molecular formula C27H40LiO6P and a molecular weight of 498.53 g/mol. Its IUPAC name is lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173245850
Molecular FormulaC27H40LiO6P
Molecular Weight498.53 g/mol
Exact Mass498.27
IUPAC Namelithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
SMILESCOc1cccc(OC)c1C(=O)Pc1c(OCC(C)C)cc(OCC(C)C)cc1OCC(C)C.[H-].[Li+]
InChIInChI=1S/C27H39O6P.Li.H/c1-17(2)14-31-20-12-23(32-15-18(3)4)26(24(13-20)33-16-19(5)6)34-27(28)25-21(29-7)10-9-11-22(25)30-8;;/h9-13,17-19,34H,14-16H2,1-8H3;;/q;+1;-1
InChIKeyASJMXITTWYTYDP-UHFFFAOYSA-N
XLogP3.07
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70016726
CID 70016726
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone;hydride
CID 173245136
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
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
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
CID 18514916

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride (CID 173245850) is lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride is COc1cccc(OC)c1C(=O)Pc1c(OCC(C)C)cc(OCC(C)C)cc1OCC(C)C.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is ASJMXITTWYTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39O6P.Li.H/c1-17(2)14-31-20-12-23(32-15-18(3)4)26(24(13-20)33-16-19(5)6)34-27(28)25-21(29-7)10-9-11-22(25)30-8;;/h9-13,17-19,34H,14-16H2,1-8H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 498.53 g/mol, XLogP of 3.07, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).