tert-butyl-(2-methyl-3-phenylphenyl)phosphane

C17H21P — CID 68718272

IUPACtert-butyl-(2-methyl-3-phenylphenyl)phosphane
SMILESCc1c(PC(C)(C)C)cccc1-c1ccccc1
InChIInChI=1S/C17H21P/c1-13-15(14-9-6-5-7-10-14)11-8-12-16(13)18-17(2,3)4/h5-12,18H,1-4H3
InChIKeySSBGWJKPSAZMGD-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.76
Rot. Bonds2

About tert-butyl-(2-methyl-3-phenylphenyl)phosphane

tert-butyl-(2-methyl-3-phenylphenyl)phosphane (PubChem CID 68718272) has the molecular formula C17H21P and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl-(2-methyl-3-phenylphenyl)phosphane.

Molecular Properties

Compound Nametert-butyl-(2-methyl-3-phenylphenyl)phosphane
PubChem CID68718272
Molecular FormulaC17H21P
Molecular Weight256.33 g/mol
Exact Mass256.14
IUPAC Nametert-butyl-(2-methyl-3-phenylphenyl)phosphane
SMILESCc1c(PC(C)(C)C)cccc1-c1ccccc1
InChIInChI=1S/C17H21P/c1-13-15(14-9-6-5-7-10-14)11-8-12-16(13)18-17(2,3)4/h5-12,18H,1-4H3
InChIKeySSBGWJKPSAZMGD-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.76
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 tert-butyl-(2-methyl-3-phenylphenyl)phosphane?
The IUPAC name of tert-butyl-(2-methyl-3-phenylphenyl)phosphane (CID 68718272) is tert-butyl-(2-methyl-3-phenylphenyl)phosphane.
What is the SMILES notation for tert-butyl-(2-methyl-3-phenylphenyl)phosphane?
The canonical SMILES for tert-butyl-(2-methyl-3-phenylphenyl)phosphane is Cc1c(PC(C)(C)C)cccc1-c1ccccc1.
What is the InChIKey of tert-butyl-(2-methyl-3-phenylphenyl)phosphane?
The InChIKey is SSBGWJKPSAZMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21P/c1-13-15(14-9-6-5-7-10-14)11-8-12-16(13)18-17(2,3)4/h5-12,18H,1-4H3.
What are the key properties of tert-butyl-(2-methyl-3-phenylphenyl)phosphane?
tert-butyl-(2-methyl-3-phenylphenyl)phosphane has a molecular weight of 256.33 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-methyl-3-phenylphenyl)phosphane is sourced from PubChem (CID 68718272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).