lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride

C20H26LiO4P — CID 173243510

IUPAClithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(OC(C)(C)C)cc1C.[H-].[Li+]
InChIInChI=1S/C20H25O4P.Li.H/c1-13-12-14(24-20(2,3)4)10-11-17(13)25-19(21)18-15(22-5)8-7-9-16(18)23-6;;/h7-12,25H,1-6H3;;/q;+1;-1
InChIKeyMUTASJKHQWCPHY-UHFFFAOYSA-N
MW368.34 g/mol
LogP1.45
Rot. Bonds6

About lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride

lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride (PubChem CID 173243510) has the molecular formula C20H26LiO4P and a molecular weight of 368.34 g/mol. Its IUPAC name is lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
PubChem CID173243510
Molecular FormulaC20H26LiO4P
Molecular Weight368.34 g/mol
Exact Mass368.17
IUPAC Namelithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(OC(C)(C)C)cc1C.[H-].[Li+]
InChIInChI=1S/C20H25O4P.Li.H/c1-13-12-14(24-20(2,3)4)10-11-17(13)25-19(21)18-15(22-5)8-7-9-16(18)23-6;;/h7-12,25H,1-6H3;;/q;+1;-1
InChIKeyMUTASJKHQWCPHY-UHFFFAOYSA-N
XLogP1.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride with MolForge

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Related Compounds

lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173244516
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
CID 70014914
CID 70014914
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
CID 70015745
CID 70015745
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514500

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride (CID 173243510) is lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride is COc1cccc(OC)c1C(=O)Pc1ccc(OC(C)(C)C)cc1C.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The InChIKey is MUTASJKHQWCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O4P.Li.H/c1-13-12-14(24-20(2,3)4)10-11-17(13)25-19(21)18-15(22-5)8-7-9-16(18)23-6;;/h7-12,25H,1-6H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride has a molecular weight of 368.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173243510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).