lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone

C24H33LiO3P+ — CID 18513784

IUPAClithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1.[Li+]
InChIInChI=1S/C24H33O3P.Li/c1-6-8-12-26-20-10-11-22(21(16-20)27-13-9-7-2)28-24(25)23-18(4)14-17(3)15-19(23)5;/h10-11,14-16,28H,6-9,12-13H2,1-5H3;/q;+1
InChIKeyHCUYSLCLGIIOLC-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.12
Rot. Bonds11

About lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone

lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 18513784) has the molecular formula C24H33LiO3P+ and a molecular weight of 407.44 g/mol. Its IUPAC name is lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namelithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
PubChem CID18513784
Molecular FormulaC24H33LiO3P+
Molecular Weight407.44 g/mol
Exact Mass407.23
IUPAC Namelithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1.[Li+]
InChIInChI=1S/C24H33O3P.Li/c1-6-8-12-26-20-10-11-22(21(16-20)27-13-9-7-2)28-24(25)23-18(4)14-17(3)15-19(23)5;/h10-11,14-16,28H,6-9,12-13H2,1-5H3;/q;+1
InChIKeyHCUYSLCLGIIOLC-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
CID 70014164
CID 70014164
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590

Frequently Asked Questions

What is the IUPAC name of lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone (CID 18513784) is lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone is CCCCOc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1.[Li+].
What is the InChIKey of lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is HCUYSLCLGIIOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O3P.Li/c1-6-8-12-26-20-10-11-22(21(16-20)27-13-9-7-2)28-24(25)23-18(4)14-17(3)15-19(23)5;/h10-11,14-16,28H,6-9,12-13H2,1-5H3;/q;+1.
What are the key properties of lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 407.44 g/mol, XLogP of 3.12, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 18513784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).