lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride

C24H33ClLiO3P — CID 173243886

IUPAClithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
SMILESCCCCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(OCCCCC)c1.[H-].[Li+]
InChIInChI=1S/C24H32ClO3P.Li.H/c1-4-6-8-15-27-19-13-14-22(21(17-19)28-16-9-7-5-2)29-24(26)23-18(3)11-10-12-20(23)25;;/h10-14,17,29H,4-9,15-16H2,1-3H3;;/q;+1;-1
InChIKeyGJBIYHKIRYNIJQ-UHFFFAOYSA-N
MW442.89 g/mol
LogP4.05
Rot. Bonds13

About lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride

lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173243886) has the molecular formula C24H33ClLiO3P and a molecular weight of 442.89 g/mol. Its IUPAC name is lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
PubChem CID173243886
Molecular FormulaC24H33ClLiO3P
Molecular Weight442.89 g/mol
Exact Mass442.20
IUPAC Namelithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
SMILESCCCCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(OCCCCC)c1.[H-].[Li+]
InChIInChI=1S/C24H32ClO3P.Li.H/c1-4-6-8-15-27-19-13-14-22(21(17-19)28-16-9-7-5-2)29-24(26)23-18(3)11-10-12-20(23)25;;/h10-14,17,29H,4-9,15-16H2,1-3H3;;/q;+1;-1
InChIKeyGJBIYHKIRYNIJQ-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.89
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
CID 70013385
CID 70013385
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride (CID 173243886) is lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride is CCCCCOc1ccc(PC(=O)c2c(C)cccc2Cl)c(OCCCCC)c1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is GJBIYHKIRYNIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClO3P.Li.H/c1-4-6-8-15-27-19-13-14-22(21(17-19)28-16-9-7-5-2)29-24(26)23-18(3)11-10-12-20(23)25;;/h10-14,17,29H,4-9,15-16H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride?
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 442.89 g/mol, XLogP of 4.05, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173243886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).