ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane

C23H33P — CID 11348396

IUPACditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
SMILESCC(C)c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H33P/c1-17(2)18-13-9-10-14-19(18)20-15-11-12-16-21(20)24(22(3,4)5)23(6,7)8/h9-17H,1-8H3
InChIKeyFNHBWYLUBOXRJB-UHFFFAOYSA-N
MW340.49 g/mol
LogP7.18
Rot. Bonds3

About ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane

ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane (PubChem CID 11348396) has the molecular formula C23H33P and a molecular weight of 340.49 g/mol. Its IUPAC name is ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
PubChem CID11348396
Molecular FormulaC23H33P
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Nameditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
SMILESCC(C)c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H33P/c1-17(2)18-13-9-10-14-19(18)20-15-11-12-16-21(20)24(22(3,4)5)23(6,7)8/h9-17H,1-8H3
InChIKeyFNHBWYLUBOXRJB-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 57.18
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 ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane?
The IUPAC name of ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane (CID 11348396) is ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane is CC(C)c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane?
The InChIKey is FNHBWYLUBOXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33P/c1-17(2)18-13-9-10-14-19(18)20-15-11-12-16-21(20)24(22(3,4)5)23(6,7)8/h9-17H,1-8H3.
What are the key properties of ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane?
ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane has a molecular weight of 340.49 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane is sourced from PubChem (CID 11348396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).