lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide

C15H13ClLiOP — CID 141016755

IUPAClithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
SMILESCc1ccc([P-]C(=O)c2c(C)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C15H13ClOP.Li/c1-10-6-8-12(9-7-10)18-15(17)14-11(2)4-3-5-13(14)16;/h3-9H,1-2H3;/q-1;+1
InChIKeySYKDPIYCPOTMJK-UHFFFAOYSA-N
MW282.64 g/mol
LogP1.37
Rot. Bonds3

About lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide

lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide (PubChem CID 141016755) has the molecular formula C15H13ClLiOP and a molecular weight of 282.64 g/mol. Its IUPAC name is lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide.

Molecular Properties

Compound Namelithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
PubChem CID141016755
Molecular FormulaC15H13ClLiOP
Molecular Weight282.64 g/mol
Exact Mass282.06
IUPAC Namelithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide
SMILESCc1ccc([P-]C(=O)c2c(C)cccc2Cl)cc1.[Li+]
InChIInChI=1S/C15H13ClOP.Li/c1-10-6-8-12(9-7-10)18-15(17)14-11(2)4-3-5-13(14)16;/h3-9H,1-2H3;/q-1;+1
InChIKeySYKDPIYCPOTMJK-UHFFFAOYSA-N
XLogP1.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 51.37
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

lithium phenyl-(2,3,6-trimethylbenzoyl)phosphanide
CID 141016257
lithium (2-chloro-6-methoxybenzoyl)-(2,6-dimethylphenyl)phosphanide
CID 141016761
lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide
CID 141015990
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
(2-chloro-6-methylphenyl)-(2,5-dimethylphenyl)phosphanylmethanone
CID 18513613
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
CID 130137004
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518

Frequently Asked Questions

What is the IUPAC name of lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide?
The IUPAC name of lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide (CID 141016755) is lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide.
What is the SMILES notation for lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide?
The canonical SMILES for lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide is Cc1ccc([P-]C(=O)c2c(C)cccc2Cl)cc1.[Li+].
What is the InChIKey of lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide?
The InChIKey is SYKDPIYCPOTMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOP.Li/c1-10-6-8-12(9-7-10)18-15(17)14-11(2)4-3-5-13(14)16;/h3-9H,1-2H3;/q-1;+1.
What are the key properties of lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide?
lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide has a molecular weight of 282.64 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-chloro-6-methylbenzoyl)-(4-methylphenyl)phosphanide is sourced from PubChem (CID 141016755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).