lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride

C18H21ClLiO4P — CID 173245926

IUPAClithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCCOCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C18H20ClO4P.Li.H/c1-3-22-11-12-23-13-7-9-14(10-8-13)24-18(20)17-15(19)5-4-6-16(17)21-2;;/h4-10,24H,3,11-12H2,1-2H3;;/q;+1;-1
InChIKeySFKXTASGTYLXPZ-UHFFFAOYSA-N
MW374.73 g/mol
LogP1.02
Rot. Bonds9

About lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride

lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride (PubChem CID 173245926) has the molecular formula C18H21ClLiO4P and a molecular weight of 374.73 g/mol. Its IUPAC name is lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
PubChem CID173245926
Molecular FormulaC18H21ClLiO4P
Molecular Weight374.73 g/mol
Exact Mass374.10
IUPAC Namelithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
SMILESCCOCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)cc1.[H-].[Li+]
InChIInChI=1S/C18H20ClO4P.Li.H/c1-3-22-11-12-23-13-7-9-14(10-8-13)24-18(20)17-15(19)5-4-6-16(17)21-2;;/h4-10,24H,3,11-12H2,1-2H3;;/q;+1;-1
InChIKeySFKXTASGTYLXPZ-UHFFFAOYSA-N
XLogP1.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.73
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-6-methoxyphenyl)-(4-hexoxyphenyl)phosphanylmethanone
CID 70016712
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium (4-butoxyphenyl)phosphanyl-(2,6-dichlorophenyl)methanone
CID 18514531
lithium;(2,6-dichlorophenyl)-(4-pentoxyphenyl)phosphanylmethanone;hydride
CID 173244543
(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70015731
lithium;(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone;hydride
CID 173243447
lithium;(2-chloro-6-methylphenyl)-(4-hexoxyphenyl)phosphanylmethanone;hydride
CID 173245206
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
(2,6-dichlorophenyl)-[4-(3-methylbutoxy)phenyl]phosphanylmethanone
CID 18513729
lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride (CID 173245926) is lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride is CCOCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)cc1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
The InChIKey is SFKXTASGTYLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClO4P.Li.H/c1-3-22-11-12-23-13-7-9-14(10-8-13)24-18(20)17-15(19)5-4-6-16(17)21-2;;/h4-10,24H,3,11-12H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride?
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride has a molecular weight of 374.73 g/mol, XLogP of 1.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).