lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride

C18H20Cl2LiO2P — CID 173244516

IUPAClithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
SMILESCc1cc(OC(C)(C)C)ccc1PC(=O)c1c(Cl)cccc1Cl.[H-].[Li+]
InChIInChI=1S/C18H19Cl2O2P.Li.H/c1-11-10-12(22-18(2,3)4)8-9-15(11)23-17(21)16-13(19)6-5-7-14(16)20;;/h5-10,23H,1-4H3;;/q;+1;-1
InChIKeyMVQPHXUUDWMBOK-UHFFFAOYSA-N
MW377.18 g/mol
LogP2.74
Rot. Bonds4

About lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride

lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride (PubChem CID 173244516) has the molecular formula C18H20Cl2LiO2P and a molecular weight of 377.18 g/mol. Its IUPAC name is lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
PubChem CID173244516
Molecular FormulaC18H20Cl2LiO2P
Molecular Weight377.18 g/mol
Exact Mass376.07
IUPAC Namelithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
SMILESCc1cc(OC(C)(C)C)ccc1PC(=O)c1c(Cl)cccc1Cl.[H-].[Li+]
InChIInChI=1S/C18H19Cl2O2P.Li.H/c1-11-10-12(22-18(2,3)4)8-9-15(11)23-17(21)16-13(19)6-5-7-14(16)20;;/h5-10,23H,1-4H3;;/q;+1;-1
InChIKeyMVQPHXUUDWMBOK-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 52.74
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

lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005376
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514070

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride (CID 173244516) is lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride is Cc1cc(OC(C)(C)C)ccc1PC(=O)c1c(Cl)cccc1Cl.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The InChIKey is MVQPHXUUDWMBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2O2P.Li.H/c1-11-10-12(22-18(2,3)4)8-9-15(11)23-17(21)16-13(19)6-5-7-14(16)20;;/h5-10,23H,1-4H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride has a molecular weight of 377.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173244516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).