benzyl-tert-butyl-methylphosphane

C12H19P — CID 561154

IUPACbenzyl-tert-butyl-methylphosphane
SMILESCP(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H19P/c1-12(2,3)13(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyBNZVDFCEJCHQMX-UHFFFAOYSA-N
MW194.26 g/mol
LogP4.10
Rot. Bonds2

About benzyl-tert-butyl-methylphosphane

benzyl-tert-butyl-methylphosphane (PubChem CID 561154) has the molecular formula C12H19P and a molecular weight of 194.26 g/mol. Its IUPAC name is benzyl-tert-butyl-methylphosphane.

Molecular Properties

Compound Namebenzyl-tert-butyl-methylphosphane
PubChem CID561154
Molecular FormulaC12H19P
Molecular Weight194.26 g/mol
Exact Mass194.12
IUPAC Namebenzyl-tert-butyl-methylphosphane
SMILESCP(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C12H19P/c1-12(2,3)13(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyBNZVDFCEJCHQMX-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 54.10
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 benzyl-tert-butyl-methylphosphane?
The IUPAC name of benzyl-tert-butyl-methylphosphane (CID 561154) is benzyl-tert-butyl-methylphosphane.
What is the SMILES notation for benzyl-tert-butyl-methylphosphane?
The canonical SMILES for benzyl-tert-butyl-methylphosphane is CP(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl-tert-butyl-methylphosphane?
The InChIKey is BNZVDFCEJCHQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19P/c1-12(2,3)13(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of benzyl-tert-butyl-methylphosphane?
benzyl-tert-butyl-methylphosphane has a molecular weight of 194.26 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tert-butyl-methylphosphane is sourced from PubChem (CID 561154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).