lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide

C20H24LiO2P — CID 141016660

IUPAClithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide
SMILESCc1cc(OCC(C)C)ccc1[P-]C(=O)c1c(C)cccc1C.[Li+]
InChIInChI=1S/C20H24O2P.Li/c1-13(2)12-22-17-9-10-18(16(5)11-17)23-20(21)19-14(3)7-6-8-15(19)4;/h6-11,13H,12H2,1-5H3;/q-1;+1
InChIKeyLYPPFEAWHRPOBZ-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.06
Rot. Bonds6

About lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide

lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide (PubChem CID 141016660) has the molecular formula C20H24LiO2P and a molecular weight of 334.32 g/mol. Its IUPAC name is lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide.

Molecular Properties

Compound Namelithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide
PubChem CID141016660
Molecular FormulaC20H24LiO2P
Molecular Weight334.32 g/mol
Exact Mass334.17
IUPAC Namelithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide
SMILESCc1cc(OCC(C)C)ccc1[P-]C(=O)c1c(C)cccc1C.[Li+]
InChIInChI=1S/C20H24O2P.Li/c1-13(2)12-22-17-9-10-18(16(5)11-17)23-20(21)19-14(3)7-6-8-15(19)4;/h6-11,13H,12H2,1-5H3;/q-1;+1
InChIKeyLYPPFEAWHRPOBZ-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
CID 141016736
lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141015912
lithium (2,6-dichlorobenzoyl)-[4-(2-methylpropoxy)phenyl]phosphanide
CID 141015990
lithium benzoyl-[4-(2-ethylhexoxy)-2-methylphenyl]phosphanide
CID 141016907
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
lithium;[2,4-bis(2-methylpropoxy)phenyl]phosphanyl-(2-chloro-6-methylphenyl)methanone;hydride
CID 173244571
3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
CID 39353469
2,6-dimethyl-4-(2-methylpropoxy)benzoic acid
CID 59820032
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide
CID 141015872
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510

Frequently Asked Questions

What is the IUPAC name of lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide?
The IUPAC name of lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide (CID 141016660) is lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide.
What is the SMILES notation for lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide?
The canonical SMILES for lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide is Cc1cc(OCC(C)C)ccc1[P-]C(=O)c1c(C)cccc1C.[Li+].
What is the InChIKey of lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide?
The InChIKey is LYPPFEAWHRPOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2P.Li/c1-13(2)12-22-17-9-10-18(16(5)11-17)23-20(21)19-14(3)7-6-8-15(19)4;/h6-11,13H,12H2,1-5H3;/q-1;+1.
What are the key properties of lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide?
lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide has a molecular weight of 334.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide is sourced from PubChem (CID 141016660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).