lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone

C13H9Cl3LiOP — CID 173243395

IUPAClithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone
SMILESO=C(Pc1ccccc1)c1c(Cl)ccc(Cl)c1Cl.[H-].[Li+]
InChIInChI=1S/C13H8Cl3OP.Li.H/c14-9-6-7-10(15)12(16)11(9)13(17)18-8-4-2-1-3-5-8;;/h1-7,18H;;/q;+1;-1
InChIKeySVYWJQZDWGQZOF-UHFFFAOYSA-N
MW325.49 g/mol
LogP1.91
Rot. Bonds3

About lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone

lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone (PubChem CID 173243395) has the molecular formula C13H9Cl3LiOP and a molecular weight of 325.49 g/mol. Its IUPAC name is lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone.

Molecular Properties

Compound Namelithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone
PubChem CID173243395
Molecular FormulaC13H9Cl3LiOP
Molecular Weight325.49 g/mol
Exact Mass323.96
IUPAC Namelithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone
SMILESO=C(Pc1ccccc1)c1c(Cl)ccc(Cl)c1Cl.[H-].[Li+]
InChIInChI=1S/C13H8Cl3OP.Li.H/c14-9-6-7-10(15)12(16)11(9)13(17)18-8-4-2-1-3-5-8;;/h1-7,18H;;/q;+1;-1
InChIKeySVYWJQZDWGQZOF-UHFFFAOYSA-N
XLogP1.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 70014414
CID 70014414
lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
CID 18514686
[4-(2,6-dichlorobenzoyl)phosphanylphenyl] benzoate
CID 139895681
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
CID 173245829
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
CID 173244321
lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone?
The IUPAC name of lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone (CID 173243395) is lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone.
What is the SMILES notation for lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone?
The canonical SMILES for lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone is O=C(Pc1ccccc1)c1c(Cl)ccc(Cl)c1Cl.[H-].[Li+].
What is the InChIKey of lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone?
The InChIKey is SVYWJQZDWGQZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3OP.Li.H/c14-9-6-7-10(15)12(16)11(9)13(17)18-8-4-2-1-3-5-8;;/h1-7,18H;;/q;+1;-1.
What are the key properties of lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone?
lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone has a molecular weight of 325.49 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;phenylphosphanyl-(2,3,6-trichlorophenyl)methanone is sourced from PubChem (CID 173243395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).