lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride

C21H28LiO3P — CID 173245324

IUPAClithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC)c1.[H-].[Li+]
InChIInChI=1S/C21H27O3P.Li.H/c1-7-23-17-9-10-19(18(12-17)24-8-2)25-21(22)20-14(4)11-13(3)15(5)16(20)6;;/h9-12,25H,7-8H2,1-6H3;;/q;+1;-1
InChIKeyFFOHFKLBHKLBDK-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.98
Rot. Bonds7

About lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride

lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (PubChem CID 173245324) has the molecular formula C21H28LiO3P and a molecular weight of 366.37 g/mol. Its IUPAC name is lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
PubChem CID173245324
Molecular FormulaC21H28LiO3P
Molecular Weight366.37 g/mol
Exact Mass366.19
IUPAC Namelithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
SMILESCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC)c1.[H-].[Li+]
InChIInChI=1S/C21H27O3P.Li.H/c1-7-23-17-9-10-19(18(12-17)24-8-2)25-21(22)20-14(4)11-13(3)15(5)16(20)6;;/h9-12,25H,7-8H2,1-6H3;;/q;+1;-1
InChIKeyFFOHFKLBHKLBDK-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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

(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514443
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173243207
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
CID 70013385
CID 70013385
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332

Frequently Asked Questions

What is the IUPAC name of lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The IUPAC name of lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride (CID 173245324) is lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride.
What is the SMILES notation for lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The canonical SMILES for lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is CCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
The InChIKey is FFOHFKLBHKLBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O3P.Li.H/c1-7-23-17-9-10-19(18(12-17)24-8-2)25-21(22)20-14(4)11-13(3)15(5)16(20)6;;/h9-12,25H,7-8H2,1-6H3;;/q;+1;-1.
What are the key properties of lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride?
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride has a molecular weight of 366.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride is sourced from PubChem (CID 173245324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).