lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

C24H33LiO8P+ — CID 18513827

IUPAClithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(OC(C)OCC)c1.[Li+]
InChIInChI=1S/C24H33O8P.Li/c1-8-29-15(3)31-17-10-11-22(19(12-17)32-16(4)30-9-2)33-24(25)23-20(27-6)13-18(26-5)14-21(23)28-7;/h10-16,33H,8-9H2,1-7H3;/q;+1
InChIKeyPAMUJMYPSWSHDU-UHFFFAOYSA-N
MW487.44 g/mol
LogP1.38
Rot. Bonds14

About lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 18513827) has the molecular formula C24H33LiO8P+ and a molecular weight of 487.44 g/mol. Its IUPAC name is lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namelithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID18513827
Molecular FormulaC24H33LiO8P+
Molecular Weight487.44 g/mol
Exact Mass487.21
IUPAC Namelithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(OC(C)OCC)c1.[Li+]
InChIInChI=1S/C24H33O8P.Li/c1-8-29-15(3)31-17-10-11-22(19(12-17)32-16(4)30-9-2)33-24(25)23-20(27-6)13-18(26-5)14-21(23)28-7;/h10-16,33H,8-9H2,1-7H3;/q;+1
InChIKeyPAMUJMYPSWSHDU-UHFFFAOYSA-N
XLogP1.38
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 18514236
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 173244960
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325

Frequently Asked Questions

What is the IUPAC name of lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 18513827) is lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is CCOC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(OC(C)OCC)c1.[Li+].
What is the InChIKey of lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is PAMUJMYPSWSHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O8P.Li/c1-8-29-15(3)31-17-10-11-22(19(12-17)32-16(4)30-9-2)33-24(25)23-20(27-6)13-18(26-5)14-21(23)28-7;/h10-16,33H,8-9H2,1-7H3;/q;+1.
What are the key properties of lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 487.44 g/mol, XLogP of 1.38, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 18513827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).