lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide

C30H28LiO3P — CID 141015872

IUPAClithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide
SMILESCc1cc(C)c(C(=O)[P-]c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C30H28O3P.Li/c1-21-16-22(2)29(23(3)17-21)30(31)34-28-15-14-26(32-19-24-10-6-4-7-11-24)18-27(28)33-20-25-12-8-5-9-13-25;/h4-18H,19-20H2,1-3H3;/q-1;+1
InChIKeyOUBHCHYLYCBFOO-UHFFFAOYSA-N
MW474.47 g/mol
LogP4.19
Rot. Bonds9

About lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide

lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide (PubChem CID 141015872) has the molecular formula C30H28LiO3P and a molecular weight of 474.47 g/mol. Its IUPAC name is lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide.

Molecular Properties

Compound Namelithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide
PubChem CID141015872
Molecular FormulaC30H28LiO3P
Molecular Weight474.47 g/mol
Exact Mass474.19
IUPAC Namelithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide
SMILESCc1cc(C)c(C(=O)[P-]c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C30H28O3P.Li/c1-21-16-22(2)29(23(3)17-21)30(31)34-28-15-14-26(32-19-24-10-6-4-7-11-24)18-27(28)33-20-25-12-8-5-9-13-25;/h4-18H,19-20H2,1-3H3;/q-1;+1
InChIKeyOUBHCHYLYCBFOO-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.19
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

[2,4-bis(phenylmethoxy)phenyl]phosphanylidene-(2,4,6-trimethylphenyl)methanolate
CID 141015873
lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141015912
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
lithium (2,6-dimethylbenzoyl)-[2-methyl-4-(2-methylpropoxy)phenyl]phosphanide
CID 141016660

Frequently Asked Questions

What is the IUPAC name of lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide?
The IUPAC name of lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide (CID 141015872) is lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide.
What is the SMILES notation for lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide?
The canonical SMILES for lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide is Cc1cc(C)c(C(=O)[P-]c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(C)c1.[Li+].
What is the InChIKey of lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide?
The InChIKey is OUBHCHYLYCBFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O3P.Li/c1-21-16-22(2)29(23(3)17-21)30(31)34-28-15-14-26(32-19-24-10-6-4-7-11-24)18-27(28)33-20-25-12-8-5-9-13-25;/h4-18H,19-20H2,1-3H3;/q-1;+1.
What are the key properties of lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide?
lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide has a molecular weight of 474.47 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-bis(phenylmethoxy)phenyl]-(2,4,6-trimethylbenzoyl)phosphanide is sourced from PubChem (CID 141015872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).