lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide

C17H18LiO2P — CID 141016363

IUPAClithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide
SMILESCOc1ccc([P-]C(=O)c2c(C)cc(C)cc2C)cc1.[Li+]
InChIInChI=1S/C17H18O2P.Li/c1-11-9-12(2)16(13(3)10-11)17(18)20-15-7-5-14(19-4)6-8-15;/h5-10H,1-4H3;/q-1;+1
InChIKeyNZLQWISVVQSTLF-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.04
Rot. Bonds4

About lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide

lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide (PubChem CID 141016363) has the molecular formula C17H18LiO2P and a molecular weight of 292.24 g/mol. Its IUPAC name is lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide.

Molecular Properties

Compound Namelithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide
PubChem CID141016363
Molecular FormulaC17H18LiO2P
Molecular Weight292.24 g/mol
Exact Mass292.12
IUPAC Namelithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide
SMILESCOc1ccc([P-]C(=O)c2c(C)cc(C)cc2C)cc1.[Li+]
InChIInChI=1S/C17H18O2P.Li/c1-11-9-12(2)16(13(3)10-11)17(18)20-15-7-5-14(19-4)6-8-15;/h5-10H,1-4H3;/q-1;+1
InChIKeyNZLQWISVVQSTLF-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
lithium (4-methoxy-2-methylphenyl)-(2,3,4,6-tetramethylbenzoyl)phosphanide
CID 141016396
2-[1-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 10890406
2-[dibromo-(4-methoxyphenyl)-λ4-tellanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 177439881
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide
CID 141015872
N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 15546075
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
2-(4-methoxyphenoxy)-N'-[2-(2,4,6-trimethylphenoxy)acetyl]acetohydrazide
CID 2479123
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 4790984
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
CID 23708345

Frequently Asked Questions

What is the IUPAC name of lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide?
The IUPAC name of lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide (CID 141016363) is lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide.
What is the SMILES notation for lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide?
The canonical SMILES for lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide is COc1ccc([P-]C(=O)c2c(C)cc(C)cc2C)cc1.[Li+].
What is the InChIKey of lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide?
The InChIKey is NZLQWISVVQSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2P.Li/c1-11-9-12(2)16(13(3)10-11)17(18)20-15-7-5-14(19-4)6-8-15;/h5-10H,1-4H3;/q-1;+1.
What are the key properties of lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide?
lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide has a molecular weight of 292.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide is sourced from PubChem (CID 141016363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).