lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride

C21H28LiO3P — CID 173243873

IUPAClithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
SMILESCc1cccc(C)c1C(=O)Pc1ccc(OC(C)C)cc1OC(C)C.[H-].[Li+]
InChIInChI=1S/C21H27O3P.Li.H/c1-13(2)23-17-10-11-19(18(12-17)24-14(3)4)25-21(22)20-15(5)8-7-9-16(20)6;;/h7-14,25H,1-6H3;;/q;+1;-1
InChIKeyGBACJSYMWPKPTM-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.14
Rot. Bonds7

About lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173243873) has the molecular formula C21H28LiO3P and a molecular weight of 366.37 g/mol. Its IUPAC name is lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
PubChem CID173243873
Molecular FormulaC21H28LiO3P
Molecular Weight366.37 g/mol
Exact Mass366.19
IUPAC Namelithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
SMILESCc1cccc(C)c1C(=O)Pc1ccc(OC(C)C)cc1OC(C)C.[H-].[Li+]
InChIInChI=1S/C21H27O3P.Li.H/c1-13(2)23-17-10-11-19(18(12-17)24-14(3)4)25-21(22)20-15(5)8-7-9-16(20)6;;/h7-14,25H,1-6H3;;/q;+1;-1
InChIKeyGBACJSYMWPKPTM-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
CID 70016722
CID 70016722
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
CID 173243461
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
CID 70012958
CID 70012958
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173245149
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride (CID 173243873) is lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride is Cc1cccc(C)c1C(=O)Pc1ccc(OC(C)C)cc1OC(C)C.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is GBACJSYMWPKPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O3P.Li.H/c1-13(2)23-17-10-11-19(18(12-17)24-14(3)4)25-21(22)20-15(5)8-7-9-16(20)6;;/h7-14,25H,1-6H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 366.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173243873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).