lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride

C19H24LiO5P — CID 173244606

IUPAClithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C19H23O5P.Li.H/c1-5-23-13(2)24-14-9-11-15(12-10-14)25-19(20)18-16(21-3)7-6-8-17(18)22-4;;/h6-13,25H,5H2,1-4H3;;/q;+1;-1
InChIKeyWHYVGYUPZHYUKC-UHFFFAOYSA-N
MW370.31 g/mol
LogP0.73
Rot. Bonds9

About lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173244606) has the molecular formula C19H24LiO5P and a molecular weight of 370.31 g/mol. Its IUPAC name is lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173244606
Molecular FormulaC19H24LiO5P
Molecular Weight370.31 g/mol
Exact Mass370.15
IUPAC Namelithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C19H23O5P.Li.H/c1-5-23-13(2)24-14-9-11-15(12-10-14)25-19(20)18-16(21-3)7-6-8-17(18)22-4;;/h6-13,25H,5H2,1-4H3;;/q;+1;-1
InChIKeyWHYVGYUPZHYUKC-UHFFFAOYSA-N
XLogP0.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70013626
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
CID 70014116
CID 70014116
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride (CID 173244606) is lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride is CCOC(C)Oc1ccc(PC(=O)c2c(OC)cccc2OC)cc1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is WHYVGYUPZHYUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O5P.Li.H/c1-5-23-13(2)24-14-9-11-15(12-10-14)25-19(20)18-16(21-3)7-6-8-17(18)22-4;;/h6-13,25H,5H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 370.31 g/mol, XLogP of 0.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173244606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).