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

C15H22LiO3P — CID 174440508

IUPAClithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride
SMILESCOc1cc(C)cc(OC)c1C(=O)PC1CCCC1.[H-].[Li+]
InChIInChI=1S/C15H21O3P.Li.H/c1-10-8-12(17-2)14(13(9-10)18-3)15(16)19-11-6-4-5-7-11;;/h8-9,11,19H,4-7H2,1-3H3;;/q;+1;-1
InChIKeyROVQWXBAZOQOIZ-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.89
Rot. Bonds5

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

lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride (PubChem CID 174440508) has the molecular formula C15H22LiO3P and a molecular weight of 288.25 g/mol. Its IUPAC name is lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride.

Molecular Properties

Compound Namelithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride
PubChem CID174440508
Molecular FormulaC15H22LiO3P
Molecular Weight288.25 g/mol
Exact Mass288.15
IUPAC Namelithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride
SMILESCOc1cc(C)cc(OC)c1C(=O)PC1CCCC1.[H-].[Li+]
InChIInChI=1S/C15H21O3P.Li.H/c1-10-8-12(17-2)14(13(9-10)18-3)15(16)19-11-6-4-5-7-11;;/h8-9,11,19H,4-7H2,1-3H3;;/q;+1;-1
InChIKeyROVQWXBAZOQOIZ-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.89
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;cyclohexylphosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 174401232
lithium;cyclopentylphosphanyl-(2,3,6-trimethylphenyl)methanone;hydride
CID 174463897
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
CID 173244321
CID 159051946
CID 159051946
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
CID 159254576
CID 159254576
1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
CID 106680079
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294

Frequently Asked Questions

What is the IUPAC name of lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride?
The IUPAC name of lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride (CID 174440508) is lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride.
What is the SMILES notation for lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride?
The canonical SMILES for lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride is COc1cc(C)cc(OC)c1C(=O)PC1CCCC1.[H-].[Li+].
What is the InChIKey of lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride?
The InChIKey is ROVQWXBAZOQOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3P.Li.H/c1-10-8-12(17-2)14(13(9-10)18-3)15(16)19-11-6-4-5-7-11;;/h8-9,11,19H,4-7H2,1-3H3;;/q;+1;-1.
What are the key properties of lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride?
lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride has a molecular weight of 288.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cyclopentylphosphanyl-(2,6-dimethoxy-4-methylphenyl)methanone;hydride is sourced from PubChem (CID 174440508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).