lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride

C21H28LiO7P — CID 173245168

IUPAClithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
SMILESCOCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCOC)c1.[H-].[Li+]
InChIInChI=1S/C21H27O7P.Li.H/c1-23-10-12-27-15-8-9-19(18(14-15)28-13-11-24-2)29-21(22)20-16(25-3)6-5-7-17(20)26-4;;/h5-9,14,29H,10-13H2,1-4H3;;/q;+1;-1
InChIKeyHOCZOSXNEKAMJI-UHFFFAOYSA-N
MW430.36 g/mol
LogP0.01
Rot. Bonds13

About lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride

lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride (PubChem CID 173245168) has the molecular formula C21H28LiO7P and a molecular weight of 430.36 g/mol. Its IUPAC name is lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
PubChem CID173245168
Molecular FormulaC21H28LiO7P
Molecular Weight430.36 g/mol
Exact Mass430.17
IUPAC Namelithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
SMILESCOCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCOC)c1.[H-].[Li+]
InChIInChI=1S/C21H27O7P.Li.H/c1-23-10-12-27-15-8-9-19(18(14-15)28-13-11-24-2)29-21(22)20-16(25-3)6-5-7-17(20)26-4;;/h5-9,14,29H,10-13H2,1-4H3;;/q;+1;-1
InChIKeyHOCZOSXNEKAMJI-UHFFFAOYSA-N
XLogP0.01
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 173244960
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012

Frequently Asked Questions

What is the IUPAC name of lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
The IUPAC name of lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride (CID 173245168) is lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride.
What is the SMILES notation for lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
The canonical SMILES for lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride is COCCOc1ccc(PC(=O)c2c(OC)cccc2OC)c(OCCOC)c1.[H-].[Li+].
What is the InChIKey of lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
The InChIKey is HOCZOSXNEKAMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O7P.Li.H/c1-23-10-12-27-15-8-9-19(18(14-15)28-13-11-24-2)29-21(22)20-16(25-3)6-5-7-17(20)26-4;;/h5-9,14,29H,10-13H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride?
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride has a molecular weight of 430.36 g/mol, XLogP of 0.01, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride is sourced from PubChem (CID 173245168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).