benzyl(propyl)phosphane

C10H15P — CID 69425003

IUPACbenzyl(propyl)phosphane
SMILESCCCPCc1ccccc1
InChIInChI=1S/C10H15P/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyOZULZNVSOIEBOO-UHFFFAOYSA-N
MW166.20 g/mol
LogP3.28
Rot. Bonds4

About benzyl(propyl)phosphane

benzyl(propyl)phosphane (PubChem CID 69425003) has the molecular formula C10H15P and a molecular weight of 166.20 g/mol. Its IUPAC name is benzyl(propyl)phosphane.

Molecular Properties

Compound Namebenzyl(propyl)phosphane
PubChem CID69425003
Molecular FormulaC10H15P
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Namebenzyl(propyl)phosphane
SMILESCCCPCc1ccccc1
InChIInChI=1S/C10H15P/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyOZULZNVSOIEBOO-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl(propyl)phosphane?
The IUPAC name of benzyl(propyl)phosphane (CID 69425003) is benzyl(propyl)phosphane.
What is the SMILES notation for benzyl(propyl)phosphane?
The canonical SMILES for benzyl(propyl)phosphane is CCCPCc1ccccc1.
What is the InChIKey of benzyl(propyl)phosphane?
The InChIKey is OZULZNVSOIEBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15P/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of benzyl(propyl)phosphane?
benzyl(propyl)phosphane has a molecular weight of 166.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(propyl)phosphane is sourced from PubChem (CID 69425003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).