(2,6-dimethylphenyl)methyl-diphenylphosphane

C21H21P — CID 130461808

IUPAC(2,6-dimethylphenyl)methyl-diphenylphosphane
SMILESCc1cccc(C)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21P/c1-17-10-9-11-18(2)21(17)16-22(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-15H,16H2,1-2H3
InChIKeySDAPKGAIAGTXCW-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.94
Rot. Bonds4

About (2,6-dimethylphenyl)methyl-diphenylphosphane

(2,6-dimethylphenyl)methyl-diphenylphosphane (PubChem CID 130461808) has the molecular formula C21H21P and a molecular weight of 304.37 g/mol. Its IUPAC name is (2,6-dimethylphenyl)methyl-diphenylphosphane.

Molecular Properties

Compound Name(2,6-dimethylphenyl)methyl-diphenylphosphane
PubChem CID130461808
Molecular FormulaC21H21P
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name(2,6-dimethylphenyl)methyl-diphenylphosphane
SMILESCc1cccc(C)c1CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21P/c1-17-10-9-11-18(2)21(17)16-22(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-15H,16H2,1-2H3
InChIKeySDAPKGAIAGTXCW-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)methyl-diphenylphosphane?
The IUPAC name of (2,6-dimethylphenyl)methyl-diphenylphosphane (CID 130461808) is (2,6-dimethylphenyl)methyl-diphenylphosphane.
What is the SMILES notation for (2,6-dimethylphenyl)methyl-diphenylphosphane?
The canonical SMILES for (2,6-dimethylphenyl)methyl-diphenylphosphane is Cc1cccc(C)c1CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,6-dimethylphenyl)methyl-diphenylphosphane?
The InChIKey is SDAPKGAIAGTXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P/c1-17-10-9-11-18(2)21(17)16-22(19-12-5-3-6-13-19)20-14-7-4-8-15-20/h3-15H,16H2,1-2H3.
What are the key properties of (2,6-dimethylphenyl)methyl-diphenylphosphane?
(2,6-dimethylphenyl)methyl-diphenylphosphane has a molecular weight of 304.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)methyl-diphenylphosphane is sourced from PubChem (CID 130461808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).