lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide

C16H22Cl2LiO2P — CID 141022766

IUPAClithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)[P-]CC(C)CC(C)(C)C.[Li+]
InChIInChI=1S/C16H22Cl2O2P.Li/c1-10(8-16(2,3)4)9-21-15(19)13-11(17)6-7-12(18)14(13)20-5;/h6-7,10H,8-9H2,1-5H3;/q-1;+1
InChIKeyPSYMKBRCDIPCAD-UHFFFAOYSA-N
MW355.17 g/mol
LogP3.16
Rot. Bonds6

About lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide

lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide (PubChem CID 141022766) has the molecular formula C16H22Cl2LiO2P and a molecular weight of 355.17 g/mol. Its IUPAC name is lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide.

Molecular Properties

Compound Namelithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide
PubChem CID141022766
Molecular FormulaC16H22Cl2LiO2P
Molecular Weight355.17 g/mol
Exact Mass354.09
IUPAC Namelithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)[P-]CC(C)CC(C)(C)C.[Li+]
InChIInChI=1S/C16H22Cl2O2P.Li/c1-10(8-16(2,3)4)9-21-15(19)13-11(17)6-7-12(18)14(13)20-5;/h6-7,10H,8-9H2,1-5H3;/q-1;+1
InChIKeyPSYMKBRCDIPCAD-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium (2,3,5,6-tetrachlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 141023037
lithium (2,4,6-trimethylbenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 58752987
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
lithium (3,6-dichloro-2-methoxybenzoyl)-phenylphosphanide
CID 141016757
lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide
CID 141023181
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 110287800
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
CID 162326255
CID 162326255
2,4,4-trimethylpentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18514795
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858
[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate
CID 88519708

Frequently Asked Questions

What is the IUPAC name of lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide?
The IUPAC name of lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide (CID 141022766) is lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide.
What is the SMILES notation for lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide?
The canonical SMILES for lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide is COc1c(Cl)ccc(Cl)c1C(=O)[P-]CC(C)CC(C)(C)C.[Li+].
What is the InChIKey of lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide?
The InChIKey is PSYMKBRCDIPCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O2P.Li/c1-10(8-16(2,3)4)9-21-15(19)13-11(17)6-7-12(18)14(13)20-5;/h6-7,10H,8-9H2,1-5H3;/q-1;+1.
What are the key properties of lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide?
lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide has a molecular weight of 355.17 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3,6-dichloro-2-methoxybenzoyl)-(2,4,4-trimethylpentyl)phosphanide is sourced from PubChem (CID 141022766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).