lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride

C16H16Cl2LiO3P — CID 173245757

IUPAClithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[H-].[Li+]
InChIInChI=1S/C16H15Cl2O3P.Li.H/c1-10(20-2)21-11-6-8-12(9-7-11)22-16(19)15-13(17)4-3-5-14(15)18;;/h3-10,22H,1-2H3;;/q;+1;-1
InChIKeyPLXKISZXYQXMDR-UHFFFAOYSA-N
MW365.12 g/mol
LogP1.63
Rot. Bonds6

About lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173245757) has the molecular formula C16H16Cl2LiO3P and a molecular weight of 365.12 g/mol. Its IUPAC name is lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173245757
Molecular FormulaC16H16Cl2LiO3P
Molecular Weight365.12 g/mol
Exact Mass364.04
IUPAC Namelithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCOC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[H-].[Li+]
InChIInChI=1S/C16H15Cl2O3P.Li.H/c1-10(20-2)21-11-6-8-12(9-7-11)22-16(19)15-13(17)4-3-5-14(15)18;;/h3-10,22H,1-2H3;;/q;+1;-1
InChIKeyPLXKISZXYQXMDR-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride 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

CID 70016005
CID 70016005
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70013626
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190
lithium (2,6-dichlorophenyl)-(4-phenoxyphenyl)phosphanylmethanone
CID 18514686
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
CID 18513729
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride (CID 173245757) is lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride is COC(C)Oc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is PLXKISZXYQXMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2O3P.Li.H/c1-10(20-2)21-11-6-8-12(9-7-11)22-16(19)15-13(17)4-3-5-14(15)18;;/h3-10,22H,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 365.12 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).