lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride

C13H20LiO3P — CID 174399349

IUPAClithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
SMILESCOc1cccc(OC)c1C(=O)PCC(C)C.[H-].[Li+]
InChIInChI=1S/C13H19O3P.Li.H/c1-9(2)8-17-13(14)12-10(15-3)6-5-7-11(12)16-4;;/h5-7,9,17H,8H2,1-4H3;;/q;+1;-1
InChIKeyMMHWQDRFICKNRF-UHFFFAOYSA-N
MW262.21 g/mol
LogP0.29
Rot. Bonds6

About lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride

lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride (PubChem CID 174399349) has the molecular formula C13H20LiO3P and a molecular weight of 262.21 g/mol. Its IUPAC name is lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride.

Molecular Properties

Compound Namelithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
PubChem CID174399349
Molecular FormulaC13H20LiO3P
Molecular Weight262.21 g/mol
Exact Mass262.13
IUPAC Namelithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
SMILESCOc1cccc(OC)c1C(=O)PCC(C)C.[H-].[Li+]
InChIInChI=1S/C13H19O3P.Li.H/c1-9(2)8-17-13(14)12-10(15-3)6-5-7-11(12)16-4;;/h5-7,9,17H,8H2,1-4H3;;/q;+1;-1
InChIKeyMMHWQDRFICKNRF-UHFFFAOYSA-N
XLogP0.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.29
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;hydride;2-methylpropylphosphanyl-(2,3,6-trimethoxyphenyl)methanone
CID 174400572
CID 159254576
CID 159254576
lithium;(2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244504
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
lithium (2,6-dimethoxyphenyl)-[4-(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18513574
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
(2,6-dimethoxybenzoyl)-(2-methylpropyl)-oxophosphanium
CID 141294397
lithium (2,6-dimethoxyphenyl)-(2,6-dimethylphenyl)phosphanylmethanone
CID 18514916
lithium;cyclohexylphosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 174401232
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
CID 70016726
CID 70016726

Frequently Asked Questions

What is the IUPAC name of lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
The IUPAC name of lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride (CID 174399349) is lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride.
What is the SMILES notation for lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
The canonical SMILES for lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride is COc1cccc(OC)c1C(=O)PCC(C)C.[H-].[Li+].
What is the InChIKey of lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
The InChIKey is MMHWQDRFICKNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O3P.Li.H/c1-9(2)8-17-13(14)12-10(15-3)6-5-7-11(12)16-4;;/h5-7,9,17H,8H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride?
lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride has a molecular weight of 262.21 g/mol, XLogP of 0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride is sourced from PubChem (CID 174399349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).