lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride

C18H20Cl2LiO2P — CID 173243447

IUPAClithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
SMILESCC(C)CCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[H-].[Li+]
InChIInChI=1S/C18H19Cl2O2P.Li.H/c1-12(2)10-11-22-13-6-8-14(9-7-13)23-18(21)17-15(19)4-3-5-16(17)20;;/h3-9,12,23H,10-11H2,1-2H3;;/q;+1;-1
InChIKeyOXCUYVIVFIGHFI-UHFFFAOYSA-N
MW377.18 g/mol
LogP2.68
Rot. Bonds7

About lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride

lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173243447) has the molecular formula C18H20Cl2LiO2P and a molecular weight of 377.18 g/mol. Its IUPAC name is lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173243447
Molecular FormulaC18H20Cl2LiO2P
Molecular Weight377.18 g/mol
Exact Mass376.07
IUPAC Namelithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
SMILESCC(C)CCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[H-].[Li+]
InChIInChI=1S/C18H19Cl2O2P.Li.H/c1-12(2)10-11-22-13-6-8-14(9-7-13)23-18(21)17-15(19)4-3-5-16(17)20;;/h3-9,12,23H,10-11H2,1-2H3;;/q;+1;-1
InChIKeyOXCUYVIVFIGHFI-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
CID 18513729
CID 70014538
CID 70014538
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
CID 70016005
CID 70016005
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2,6-dichlorophenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70013626
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride (CID 173243447) is lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride is CC(C)CCOc1ccc(PC(=O)c2c(Cl)cccc2Cl)cc1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is OXCUYVIVFIGHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2O2P.Li.H/c1-12(2)10-11-22-13-6-8-14(9-7-13)23-18(21)17-15(19)4-3-5-16(17)20;;/h3-9,12,23H,10-11H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 377.18 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173243447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).