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

C17H19ClLiO3P — CID 173243257

IUPAClithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
SMILESCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1.[H-].[Li+]
InChIInChI=1S/C17H18ClO3P.Li.H/c1-4-21-12-8-9-15(11(2)10-12)22-17(19)16-13(18)6-5-7-14(16)20-3;;/h5-10,22H,4H2,1-3H3;;/q;+1;-1
InChIKeyIYRHMYMOKMDARO-UHFFFAOYSA-N
MW344.70 g/mol
LogP1.32
Rot. Bonds6

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

lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride (PubChem CID 173243257) has the molecular formula C17H19ClLiO3P and a molecular weight of 344.70 g/mol. Its IUPAC name is lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
PubChem CID173243257
Molecular FormulaC17H19ClLiO3P
Molecular Weight344.70 g/mol
Exact Mass344.09
IUPAC Namelithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
SMILESCCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1.[H-].[Li+]
InChIInChI=1S/C17H18ClO3P.Li.H/c1-4-21-12-8-9-15(11(2)10-12)22-17(19)16-13(18)6-5-7-14(16)20-3;;/h5-10,22H,4H2,1-3H3;;/q;+1;-1
InChIKeyIYRHMYMOKMDARO-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.70
LogP ≤ 51.32
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

lithium;(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone;hydride
CID 173244447
(4-butoxy-2-methylphenyl)phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 70014412
CID 70013385
CID 70013385
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
(2-chloro-6-methylphenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 70014303
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;(2,6-dichlorophenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173244516
[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methoxyphenyl)methanone
CID 18514382
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
CID 70012742
CID 70012742

Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride (CID 173243257) is lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride is CCOc1ccc(PC(=O)c2c(Cl)cccc2OC)c(C)c1.[H-].[Li+].
What is the InChIKey of lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride?
The InChIKey is IYRHMYMOKMDARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClO3P.Li.H/c1-4-21-12-8-9-15(11(2)10-12)22-17(19)16-13(18)6-5-7-14(16)20-3;;/h5-10,22H,4H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride?
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride has a molecular weight of 344.70 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173243257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).