lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide

C16H16LiOP — CID 141016257

IUPAClithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide
SMILESCc1ccc(C)c(C(=O)[P-]c2ccccc2)c1C.[Li+]
InChIInChI=1S/C16H16OP.Li/c1-11-9-10-12(2)15(13(11)3)16(17)18-14-7-5-4-6-8-14;/h4-10H,1-3H3;/q-1;+1
InChIKeyCQPTVPLTWVXLPJ-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.03
Rot. Bonds3

About lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide

lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide (PubChem CID 141016257) has the molecular formula C16H16LiOP and a molecular weight of 262.22 g/mol. Its IUPAC name is lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide.

Molecular Properties

Compound Namelithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide
PubChem CID141016257
Molecular FormulaC16H16LiOP
Molecular Weight262.22 g/mol
Exact Mass262.11
IUPAC Namelithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide
SMILESCc1ccc(C)c(C(=O)[P-]c2ccccc2)c1C.[Li+]
InChIInChI=1S/C16H16OP.Li/c1-11-9-10-12(2)15(13(11)3)16(17)18-14-7-5-4-6-8-14;/h4-10H,1-3H3;/q-1;+1
InChIKeyCQPTVPLTWVXLPJ-UHFFFAOYSA-N
XLogP1.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
CID 141016755
2,3,6-trimethylbenzoyl chloride
CID 20662008
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
lithium cyclopentyl-(2,3,6-trimethylbenzoyl)phosphanide
CID 141022858
oxo-phenyl-(2,3,6-trimethylbenzoyl)phosphanium
CID 141016786
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250
lithium (4-methoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphanide
CID 141016363
2,3-dimethyl-6-sulfobenzoic acid
CID 53400818
ethyl 2,3,6-trimethylbenzoate
CID 13126297
(6-hydroxy-2,3-dimethylphenyl)-(2-methylphenyl)methanone
CID 21484562

Frequently Asked Questions

What is the IUPAC name of lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide?
The IUPAC name of lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide (CID 141016257) is lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide.
What is the SMILES notation for lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide?
The canonical SMILES for lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide is Cc1ccc(C)c(C(=O)[P-]c2ccccc2)c1C.[Li+].
What is the InChIKey of lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide?
The InChIKey is CQPTVPLTWVXLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OP.Li/c1-11-9-10-12(2)15(13(11)3)16(17)18-14-7-5-4-6-8-14;/h4-10H,1-3H3;/q-1;+1.
What are the key properties of lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide?
lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide has a molecular weight of 262.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide is sourced from PubChem (CID 141016257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).