lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone

C22H29LiO3P+ — CID 18514113

IUPAClithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)Pc2ccc(OC(C)C)cc2OC(C)C)c(C)c1.[Li+]
InChIInChI=1S/C22H29O3P.Li/c1-13(2)24-18-8-9-20(19(12-18)25-14(3)4)26-22(23)21-16(6)10-15(5)11-17(21)7;/h8-14,26H,1-7H3;/q;+1
InChIKeyUVSAVXOPGDCXOL-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.33
Rot. Bonds7

About lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone

lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 18514113) has the molecular formula C22H29LiO3P+ and a molecular weight of 379.39 g/mol. Its IUPAC name is lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namelithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
PubChem CID18514113
Molecular FormulaC22H29LiO3P+
Molecular Weight379.39 g/mol
Exact Mass379.20
IUPAC Namelithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)Pc2ccc(OC(C)C)cc2OC(C)C)c(C)c1.[Li+]
InChIInChI=1S/C22H29O3P.Li/c1-13(2)24-18-8-9-20(19(12-18)25-14(3)4)26-22(23)21-16(6)10-15(5)11-17(21)7;/h8-14,26H,1-7H3;/q;+1
InChIKeyUVSAVXOPGDCXOL-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.33
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;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
lithium (2-chloro-6-methylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514643
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2-methyl-4-propan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173244583
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930
lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
CID 70016390
CID 70016390
CID 70016722
CID 70016722
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
(2-methoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 174858055
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
CID 70014312
CID 70014312

Frequently Asked Questions

What is the IUPAC name of lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone (CID 18514113) is lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)Pc2ccc(OC(C)C)cc2OC(C)C)c(C)c1.[Li+].
What is the InChIKey of lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is UVSAVXOPGDCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O3P.Li/c1-13(2)24-18-8-9-20(19(12-18)25-14(3)4)26-22(23)21-16(6)10-15(5)11-17(21)7;/h8-14,26H,1-7H3;/q;+1.
What are the key properties of lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone?
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 379.39 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 18514113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).