lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride

C19H23ClLiO3P — CID 173244447

IUPAClithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
SMILESCCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1.[H-].[Li+]
InChIInChI=1S/C19H22ClO3P.Li.H/c1-4-5-11-23-14-9-10-17(13(2)12-14)24-19(21)18-15(20)7-6-8-16(18)22-3;;/h6-10,12,24H,4-5,11H2,1-3H3;;/q;+1;-1
InChIKeyWVZYUJLHRBBELS-UHFFFAOYSA-N
MW372.76 g/mol
LogP2.10
Rot. Bonds8

About lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride

lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride (PubChem CID 173244447) has the molecular formula C19H23ClLiO3P and a molecular weight of 372.76 g/mol. Its IUPAC name is lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
PubChem CID173244447
Molecular FormulaC19H23ClLiO3P
Molecular Weight372.76 g/mol
Exact Mass372.12
IUPAC Namelithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
SMILESCCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1.[H-].[Li+]
InChIInChI=1S/C19H22ClO3P.Li.H/c1-4-5-11-23-14-9-10-17(13(2)12-14)24-19(21)18-15(20)7-6-8-16(18)22-3;;/h6-10,12,24H,4-5,11H2,1-3H3;;/q;+1;-1
InChIKeyWVZYUJLHRBBELS-UHFFFAOYSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 52.10
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

(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590

Frequently Asked Questions

What is the IUPAC name of lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride?
The IUPAC name of lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride (CID 173244447) is lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride.
What is the SMILES notation for lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride?
The canonical SMILES for lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride is CCCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1.[H-].[Li+].
What is the InChIKey of lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride?
The InChIKey is WVZYUJLHRBBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClO3P.Li.H/c1-4-5-11-23-14-9-10-17(13(2)12-14)24-19(21)18-15(20)7-6-8-16(18)22-3;;/h6-10,12,24H,4-5,11H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride?
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride has a molecular weight of 372.76 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride is sourced from PubChem (CID 173244447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).