lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride

C22H29ClLiO3P — CID 173244571

IUPAClithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
SMILESCc1cccc(Cl)c1C(=O)Pc1ccc(OCC(C)C)cc1OCC(C)C.[H-].[Li+]
InChIInChI=1S/C22H28ClO3P.Li.H/c1-14(2)12-25-17-9-10-20(19(11-17)26-13-15(3)4)27-22(24)21-16(5)7-6-8-18(21)23;;/h6-11,14-15,27H,12-13H2,1-5H3;;/q;+1;-1
InChIKeyRSCBSMJICJEKAM-UHFFFAOYSA-N
MW414.84 g/mol
LogP2.98
Rot. Bonds9

About lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride

lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride (PubChem CID 173244571) has the molecular formula C22H29ClLiO3P and a molecular weight of 414.84 g/mol. Its IUPAC name is lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
PubChem CID173244571
Molecular FormulaC22H29ClLiO3P
Molecular Weight414.84 g/mol
Exact Mass414.17
IUPAC Namelithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
SMILESCc1cccc(Cl)c1C(=O)Pc1ccc(OCC(C)C)cc1OCC(C)C.[H-].[Li+]
InChIInChI=1S/C22H28ClO3P.Li.H/c1-14(2)12-25-17-9-10-20(19(11-17)26-13-15(3)4)27-22(24)21-16(5)7-6-8-18(21)23;;/h6-11,14-15,27H,12-13H2,1-5H3;;/q;+1;-1
InChIKeyRSCBSMJICJEKAM-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
CID 70013385
CID 70013385
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447

Frequently Asked Questions

What is the IUPAC name of lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride?
The IUPAC name of lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride (CID 173244571) is lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride.
What is the SMILES notation for lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride?
The canonical SMILES for lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride is Cc1cccc(Cl)c1C(=O)Pc1ccc(OCC(C)C)cc1OCC(C)C.[H-].[Li+].
What is the InChIKey of lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride?
The InChIKey is RSCBSMJICJEKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClO3P.Li.H/c1-14(2)12-25-17-9-10-20(19(11-17)26-13-15(3)4)27-22(24)21-16(5)7-6-8-18(21)23;;/h6-11,14-15,27H,12-13H2,1-5H3;;/q;+1;-1.
What are the key properties of lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride?
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride has a molecular weight of 414.84 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride is sourced from PubChem (CID 173244571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).