lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide

C19H22LiO4P — CID 141016144

IUPAClithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide
SMILESCCOc1cc(OCC)c([P-]C(=O)c2ccccc2)c(OCC)c1.[Li+]
InChIInChI=1S/C19H22O4P.Li/c1-4-21-15-12-16(22-5-2)18(17(13-15)23-6-3)24-19(20)14-10-8-7-9-11-14;/h7-13H,4-6H2,1-3H3;/q-1;+1
InChIKeyDQESAWWFKOPXKY-UHFFFAOYSA-N
MW352.30 g/mol
LogP1.30
Rot. Bonds9

About lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide

lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide (PubChem CID 141016144) has the molecular formula C19H22LiO4P and a molecular weight of 352.30 g/mol. Its IUPAC name is lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide.

Molecular Properties

Compound Namelithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide
PubChem CID141016144
Molecular FormulaC19H22LiO4P
Molecular Weight352.30 g/mol
Exact Mass352.14
IUPAC Namelithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide
SMILESCCOc1cc(OCC)c([P-]C(=O)c2ccccc2)c(OCC)c1.[Li+]
InChIInChI=1S/C19H22O4P.Li/c1-4-21-15-12-16(22-5-2)18(17(13-15)23-6-3)24-19(20)14-10-8-7-9-11-14;/h7-13H,4-6H2,1-3H3;/q-1;+1
InChIKeyDQESAWWFKOPXKY-UHFFFAOYSA-N
XLogP1.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide?
The IUPAC name of lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide (CID 141016144) is lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide.
What is the SMILES notation for lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide?
The canonical SMILES for lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide is CCOc1cc(OCC)c([P-]C(=O)c2ccccc2)c(OCC)c1.[Li+].
What is the InChIKey of lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide?
The InChIKey is DQESAWWFKOPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4P.Li/c1-4-21-15-12-16(22-5-2)18(17(13-15)23-6-3)24-19(20)14-10-8-7-9-11-14;/h7-13H,4-6H2,1-3H3;/q-1;+1.
What are the key properties of lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide?
lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide has a molecular weight of 352.30 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium benzoyl-(2,4,6-triethoxyphenyl)phosphanide is sourced from PubChem (CID 141016144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).