lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride

C16H18LiO3P — CID 173244321

IUPAClithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
SMILESCOc1cc(C)cc(OC)c1C(=O)Pc1ccccc1.[H-].[Li+]
InChIInChI=1S/C16H17O3P.Li.H/c1-11-9-13(18-2)15(14(10-11)19-3)16(17)20-12-7-5-4-6-8-12;;/h4-10,20H,1-3H3;;/q;+1;-1
InChIKeyOTSZDXDPZJQNEH-UHFFFAOYSA-N
MW296.23 g/mol
LogP0.27
Rot. Bonds5

About lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride

lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride (PubChem CID 173244321) has the molecular formula C16H18LiO3P and a molecular weight of 296.23 g/mol. Its IUPAC name is lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
PubChem CID173244321
Molecular FormulaC16H18LiO3P
Molecular Weight296.23 g/mol
Exact Mass296.12
IUPAC Namelithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
SMILESCOc1cc(C)cc(OC)c1C(=O)Pc1ccccc1.[H-].[Li+]
InChIInChI=1S/C16H17O3P.Li.H/c1-11-9-13(18-2)15(14(10-11)19-3)16(17)20-12-7-5-4-6-8-12;;/h4-10,20H,1-3H3;;/q;+1;-1
InChIKeyOTSZDXDPZJQNEH-UHFFFAOYSA-N
XLogP0.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 50.27
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

phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055
lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride
CID 174440508
(4-tert-butyl-2,6-dimethylphenyl)-phenylphosphanylmethanone
CID 18514788
lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
CID 18514916
lithium;(2,6-dimethoxyphenyl)-(4-propoxyphenyl)phosphanylmethanone;hydride
CID 173245012
lithium;hydride;phenylphosphanyl-(2,4,6-tritert-butylphenyl)methanone
CID 173245829
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride (CID 173244321) is lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride is COc1cc(C)cc(OC)c1C(=O)Pc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride?
The InChIKey is OTSZDXDPZJQNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P.Li.H/c1-11-9-13(18-2)15(14(10-11)19-3)16(17)20-12-7-5-4-6-8-12;;/h4-10,20H,1-3H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride?
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride has a molecular weight of 296.23 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride is sourced from PubChem (CID 173244321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).