lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite

C16H18LiO2P — CID 160891413

IUPAClithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite
SMILESCc1cc(C)c(CP([O-])Oc2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C16H18O2P.Li/c1-12-9-13(2)16(14(3)10-12)11-19(17)18-15-7-5-4-6-8-15;/h4-10H,11H2,1-3H3;/q-1;+1
InChIKeyUSIMCLTVUMTEHF-UHFFFAOYSA-N
MW280.23 g/mol
LogP0.87
Rot. Bonds4

About lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite

lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite (PubChem CID 160891413) has the molecular formula C16H18LiO2P and a molecular weight of 280.23 g/mol. Its IUPAC name is lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite.

Molecular Properties

Compound Namelithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite
PubChem CID160891413
Molecular FormulaC16H18LiO2P
Molecular Weight280.23 g/mol
Exact Mass280.12
IUPAC Namelithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite
SMILESCc1cc(C)c(CP([O-])Oc2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C16H18O2P.Li/c1-12-9-13(2)16(14(3)10-12)11-19(17)18-15-7-5-4-6-8-15;/h4-10H,11H2,1-3H3;/q-1;+1
InChIKeyUSIMCLTVUMTEHF-UHFFFAOYSA-N
XLogP0.87
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite?
The IUPAC name of lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite (CID 160891413) is lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite.
What is the SMILES notation for lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite?
The canonical SMILES for lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite is Cc1cc(C)c(CP([O-])Oc2ccccc2)c(C)c1.[Li+].
What is the InChIKey of lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite?
The InChIKey is USIMCLTVUMTEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2P.Li/c1-12-9-13(2)16(14(3)10-12)11-19(17)18-15-7-5-4-6-8-15;/h4-10H,11H2,1-3H3;/q-1;+1.
What are the key properties of lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite?
lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite has a molecular weight of 280.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenoxy-[(2,4,6-trimethylphenyl)methyl]phosphinite is sourced from PubChem (CID 160891413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).