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

C20H25ClLiO2P — CID 173245206

IUPAClithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
SMILESCCCCCCOc1ccc(PC(=O)c2c(C)cccc2Cl)cc1.[H-].[Li+]
InChIInChI=1S/C20H24ClO2P.Li.H/c1-3-4-5-6-14-23-16-10-12-17(13-11-16)24-20(22)19-15(2)8-7-9-18(19)21;;/h7-13,24H,3-6,14H2,1-2H3;;/q;+1;-1
InChIKeyXSANQMJSCNZPKJ-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.87
Rot. Bonds9

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

lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride (PubChem CID 173245206) has the molecular formula C20H25ClLiO2P and a molecular weight of 370.79 g/mol. Its IUPAC name is lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
PubChem CID173245206
Molecular FormulaC20H25ClLiO2P
Molecular Weight370.79 g/mol
Exact Mass370.14
IUPAC Namelithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
SMILESCCCCCCOc1ccc(PC(=O)c2c(C)cccc2Cl)cc1.[H-].[Li+]
InChIInChI=1S/C20H24ClO2P.Li.H/c1-3-4-5-6-14-23-16-10-12-17(13-11-16)24-20(22)19-15(2)8-7-9-18(19)21;;/h7-13,24H,3-6,14H2,1-2H3;;/q;+1;-1
InChIKeyXSANQMJSCNZPKJ-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(4-butoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone;hydride
CID 173245275
(2-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
CID 70014538
CID 70014538
(2,6-dimethylphenyl)-(4-propoxyphenyl)phosphanylmethanone
CID 18513885
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173244584
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride (CID 173245206) is lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride is CCCCCCOc1ccc(PC(=O)c2c(C)cccc2Cl)cc1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride?
The InChIKey is XSANQMJSCNZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClO2P.Li.H/c1-3-4-5-6-14-23-16-10-12-17(13-11-16)24-20(22)19-15(2)8-7-9-18(19)21;;/h7-13,24H,3-6,14H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride?
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride has a molecular weight of 370.79 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173245206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).