4-benzylphosphinane

C12H17P — CID 130251660

IUPAC4-benzylphosphinane
SMILESc1ccc(CC2CCPCC2)cc1
InChIInChI=1S/C12H17P/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKeyYENDXEWUFSJLSU-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.32
Rot. Bonds2

About 4-benzylphosphinane

4-benzylphosphinane (PubChem CID 130251660) has the molecular formula C12H17P and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-benzylphosphinane.

Molecular Properties

Compound Name4-benzylphosphinane
PubChem CID130251660
Molecular FormulaC12H17P
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name4-benzylphosphinane
SMILESc1ccc(CC2CCPCC2)cc1
InChIInChI=1S/C12H17P/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKeyYENDXEWUFSJLSU-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.32
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 4-benzylphosphinane?
The IUPAC name of 4-benzylphosphinane (CID 130251660) is 4-benzylphosphinane.
What is the SMILES notation for 4-benzylphosphinane?
The canonical SMILES for 4-benzylphosphinane is c1ccc(CC2CCPCC2)cc1.
What is the InChIKey of 4-benzylphosphinane?
The InChIKey is YENDXEWUFSJLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17P/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2.
What are the key properties of 4-benzylphosphinane?
4-benzylphosphinane has a molecular weight of 192.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylphosphinane is sourced from PubChem (CID 130251660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).