(2-tert-butyl-6-phenylphenyl)methylphosphane

C17H21P — CID 67259813

IUPAC(2-tert-butyl-6-phenylphenyl)methylphosphane
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1CP
InChIInChI=1S/C17H21P/c1-17(2,3)16-11-7-10-14(15(16)12-18)13-8-5-4-6-9-13/h4-11H,12,18H2,1-3H3
InChIKeyMPRVTGXSNXGPRQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP5.03
Rot. Bonds2

About (2-tert-butyl-6-phenylphenyl)methylphosphane

(2-tert-butyl-6-phenylphenyl)methylphosphane (PubChem CID 67259813) has the molecular formula C17H21P and a molecular weight of 256.33 g/mol. Its IUPAC name is (2-tert-butyl-6-phenylphenyl)methylphosphane.

Molecular Properties

Compound Name(2-tert-butyl-6-phenylphenyl)methylphosphane
PubChem CID67259813
Molecular FormulaC17H21P
Molecular Weight256.33 g/mol
Exact Mass256.14
IUPAC Name(2-tert-butyl-6-phenylphenyl)methylphosphane
SMILESCC(C)(C)c1cccc(-c2ccccc2)c1CP
InChIInChI=1S/C17H21P/c1-17(2,3)16-11-7-10-14(15(16)12-18)13-8-5-4-6-9-13/h4-11H,12,18H2,1-3H3
InChIKeyMPRVTGXSNXGPRQ-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.33
LogP ≤ 55.03
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-tert-butyl-6-phenylphenyl)methylphosphane?
The IUPAC name of (2-tert-butyl-6-phenylphenyl)methylphosphane (CID 67259813) is (2-tert-butyl-6-phenylphenyl)methylphosphane.
What is the SMILES notation for (2-tert-butyl-6-phenylphenyl)methylphosphane?
The canonical SMILES for (2-tert-butyl-6-phenylphenyl)methylphosphane is CC(C)(C)c1cccc(-c2ccccc2)c1CP.
What is the InChIKey of (2-tert-butyl-6-phenylphenyl)methylphosphane?
The InChIKey is MPRVTGXSNXGPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21P/c1-17(2,3)16-11-7-10-14(15(16)12-18)13-8-5-4-6-9-13/h4-11H,12,18H2,1-3H3.
What are the key properties of (2-tert-butyl-6-phenylphenyl)methylphosphane?
(2-tert-butyl-6-phenylphenyl)methylphosphane has a molecular weight of 256.33 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-phenylphenyl)methylphosphane is sourced from PubChem (CID 67259813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).