lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride

C17H19ClLiO2P — CID 173245149

IUPAClithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
SMILESCc1ccccc1C(=O)Pc1ccc(OC(C)C)cc1Cl.[H-].[Li+]
InChIInChI=1S/C17H18ClO2P.Li.H/c1-11(2)20-13-8-9-16(15(18)10-13)21-17(19)14-7-5-4-6-12(14)3;;/h4-11,21H,1-3H3;;/q;+1;-1
InChIKeyRMNKKXSLJUCOSH-UHFFFAOYSA-N
MW328.70 g/mol
LogP1.70
Rot. Bonds5

About lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride

lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride (PubChem CID 173245149) has the molecular formula C17H19ClLiO2P and a molecular weight of 328.70 g/mol. Its IUPAC name is lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
PubChem CID173245149
Molecular FormulaC17H19ClLiO2P
Molecular Weight328.70 g/mol
Exact Mass328.10
IUPAC Namelithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
SMILESCc1ccccc1C(=O)Pc1ccc(OC(C)C)cc1Cl.[H-].[Li+]
InChIInChI=1S/C17H18ClO2P.Li.H/c1-11(2)20-13-8-9-16(15(18)10-13)21-17(19)14-7-5-4-6-12(14)3;;/h4-11,21H,1-3H3;;/q;+1;-1
InChIKeyRMNKKXSLJUCOSH-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.70
LogP ≤ 51.70
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-chloro-4-propoxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride
CID 173244490
(4-butoxy-2-chlorophenyl)phosphanyl-(2-methylphenyl)methanone
CID 18515249
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
(4-butan-2-yloxy-2-chlorophenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18514141
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
ethyl 2-chloro-4-propan-2-yloxybenzoate
CID 82551782
lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173244516

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
The IUPAC name of lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride (CID 173245149) is lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride.
What is the SMILES notation for lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
The canonical SMILES for lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride is Cc1ccccc1C(=O)Pc1ccc(OC(C)C)cc1Cl.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
The InChIKey is RMNKKXSLJUCOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClO2P.Li.H/c1-11(2)20-13-8-9-16(15(18)10-13)21-17(19)14-7-5-4-6-12(14)3;;/h4-11,21H,1-3H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride?
lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride has a molecular weight of 328.70 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-4-propan-2-yloxyphenyl)phosphanyl-(2-methylphenyl)methanone;hydride is sourced from PubChem (CID 173245149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).