lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone

C14H22LiO3P — CID 174476951

IUPAClithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone
SMILESCOc1cc(C)cc(OC)c1C(=O)P.[CH2-]CCC.[Li+]
InChIInChI=1S/C10H13O3P.C4H9.Li/c1-6-4-7(12-2)9(10(11)14)8(5-6)13-3;1-3-4-2;/h4-5H,14H2,1-3H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyJAUOMBZJYMXEPJ-UHFFFAOYSA-N
MW276.24 g/mol
LogP0.65
Rot. Bonds4

About lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone

lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone (PubChem CID 174476951) has the molecular formula C14H22LiO3P and a molecular weight of 276.24 g/mol. Its IUPAC name is lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone.

Molecular Properties

Compound Namelithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone
PubChem CID174476951
Molecular FormulaC14H22LiO3P
Molecular Weight276.24 g/mol
Exact Mass276.15
IUPAC Namelithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone
SMILESCOc1cc(C)cc(OC)c1C(=O)P.[CH2-]CCC.[Li+]
InChIInChI=1S/C10H13O3P.C4H9.Li/c1-6-4-7(12-2)9(10(11)14)8(5-6)13-3;1-3-4-2;/h4-5H,14H2,1-3H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyJAUOMBZJYMXEPJ-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
1-(2-methoxy-4,6-dimethylphenyl)-3-propoxypropan-1-one
CID 106681993
CID 159254576
CID 159254576
3-methoxy-5-methylphthalic acid
CID 12908895
(1-ethylcyclopentyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681952
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950

Frequently Asked Questions

What is the IUPAC name of lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone?
The IUPAC name of lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone (CID 174476951) is lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone.
What is the SMILES notation for lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone?
The canonical SMILES for lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone is COc1cc(C)cc(OC)c1C(=O)P.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone?
The InChIKey is JAUOMBZJYMXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P.C4H9.Li/c1-6-4-7(12-2)9(10(11)14)8(5-6)13-3;1-3-4-2;/h4-5H,14H2,1-3H3;1,3-4H2,2H3;/q;-1;+1.
What are the key properties of lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone?
lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone has a molecular weight of 276.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;(2,6-dimethoxy-4-methylphenyl)-phosphanylmethanone is sourced from PubChem (CID 174476951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).