lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

C21H28LiO3P — CID 173245078

IUPAClithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCOCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+]
InChIInChI=1S/C21H27O3P.Li.H/c1-13-11-15(3)20(17(5)16(13)4)21(22)25-19-8-7-18(12-14(19)2)24-10-9-23-6;;/h7-8,11-12,25H,9-10H2,1-6H3;;/q;+1;-1
InChIKeyAXGGPAIXASPXDC-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.51
Rot. Bonds7

About lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 173245078) has the molecular formula C21H28LiO3P and a molecular weight of 366.37 g/mol. Its IUPAC name is lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Namelithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID173245078
Molecular FormulaC21H28LiO3P
Molecular Weight366.37 g/mol
Exact Mass366.19
IUPAC Namelithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCOCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+]
InChIInChI=1S/C21H27O3P.Li.H/c1-13-11-15(3)20(17(5)16(13)4)21(22)25-19-8-7-18(12-14(19)2)24-10-9-23-6;;/h7-8,11-12,25H,9-10H2,1-6H3;;/q;+1;-1
InChIKeyAXGGPAIXASPXDC-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
CID 70014164
CID 70014164
lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173243207

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (CID 173245078) is lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is COCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[H-].[Li+].
What is the InChIKey of lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is AXGGPAIXASPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O3P.Li.H/c1-13-11-15(3)20(17(5)16(13)4)21(22)25-19-8-7-18(12-14(19)2)24-10-9-23-6;;/h7-8,11-12,25H,9-10H2,1-6H3;;/q;+1;-1.
What are the key properties of lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 366.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 173245078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).