lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide

C19H22LiO2P — CID 141016396

IUPAClithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide
SMILESCOc1ccc([P-]C(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[Li+]
InChIInChI=1S/C19H22O2P.Li/c1-11-9-13(3)18(15(5)14(11)4)19(20)22-17-8-7-16(21-6)10-12(17)2;/h7-10H,1-6H3;/q-1;+1
InChIKeyXRWAUQMMNJONBB-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.65
Rot. Bonds4

About lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide

lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide (PubChem CID 141016396) has the molecular formula C19H22LiO2P and a molecular weight of 320.30 g/mol. Its IUPAC name is lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide.

Molecular Properties

Compound Namelithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide
PubChem CID141016396
Molecular FormulaC19H22LiO2P
Molecular Weight320.30 g/mol
Exact Mass320.15
IUPAC Namelithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide
SMILESCOc1ccc([P-]C(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[Li+]
InChIInChI=1S/C19H22O2P.Li/c1-11-9-13(3)18(15(5)14(11)4)19(20)22-17-8-7-16(21-6)10-12(17)2;/h7-10H,1-6H3;/q-1;+1
InChIKeyXRWAUQMMNJONBB-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide?
The IUPAC name of lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide (CID 141016396) is lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide.
What is the SMILES notation for lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide?
The canonical SMILES for lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide is COc1ccc([P-]C(=O)c2c(C)cc(C)c(C)c2C)c(C)c1.[Li+].
What is the InChIKey of lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide?
The InChIKey is XRWAUQMMNJONBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2P.Li/c1-11-9-13(3)18(15(5)14(11)4)19(20)22-17-8-7-16(21-6)10-12(17)2;/h7-10H,1-6H3;/q-1;+1.
What are the key properties of lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide?
lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide has a molecular weight of 320.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide is sourced from PubChem (CID 141016396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).