lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone

C17H19LiO3P+ — CID 18515168

IUPAClithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
SMILESCOc1ccc(PC(=O)c2c(C)cccc2C)c(OC)c1.[Li+]
InChIInChI=1S/C17H19O3P.Li/c1-11-6-5-7-12(2)16(11)17(18)21-15-9-8-13(19-3)10-14(15)20-4;/h5-10,21H,1-4H3;/q;+1
InChIKeyRHGZRGBWANRDRG-UHFFFAOYSA-N
MW309.25 g/mol
LogP0.47
Rot. Bonds5

About lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone

lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone (PubChem CID 18515168) has the molecular formula C17H19LiO3P+ and a molecular weight of 309.25 g/mol. Its IUPAC name is lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Namelithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
PubChem CID18515168
Molecular FormulaC17H19LiO3P+
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Namelithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
SMILESCOc1ccc(PC(=O)c2c(C)cccc2C)c(OC)c1.[Li+]
InChIInChI=1S/C17H19O3P.Li/c1-11-6-5-7-12(2)16(11)17(18)21-15-9-8-13(19-3)10-14(15)20-4;/h5-10,21H,1-4H3;/q;+1
InChIKeyRHGZRGBWANRDRG-UHFFFAOYSA-N
XLogP0.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 50.47
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

CID 70014312
CID 70014312
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
CID 173244361
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
CID 173243461
CID 70012958
CID 70012958
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
CID 70016722
CID 70016722
lithium;(2,6-dimethoxyphenyl)-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173243510
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055
CID 70014966
CID 70014966

Frequently Asked Questions

What is the IUPAC name of lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone?
The IUPAC name of lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone (CID 18515168) is lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone?
The canonical SMILES for lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone is COc1ccc(PC(=O)c2c(C)cccc2C)c(OC)c1.[Li+].
What is the InChIKey of lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone?
The InChIKey is RHGZRGBWANRDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P.Li/c1-11-6-5-7-12(2)16(11)17(18)21-15-9-8-13(19-3)10-14(15)20-4;/h5-10,21H,1-4H3;/q;+1.
What are the key properties of lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone?
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone has a molecular weight of 309.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 18515168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).