3-chloropropyl(diphenyl)phosphane

C15H16ClP — CID 608029

IUPAC3-chloropropyl(diphenyl)phosphane
SMILESClCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16ClP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyJSXCOEFXLJZYMF-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.75
Rot. Bonds5

About 3-chloropropyl(diphenyl)phosphane

3-chloropropyl(diphenyl)phosphane (PubChem CID 608029) has the molecular formula C15H16ClP and a molecular weight of 262.72 g/mol. Its IUPAC name is 3-chloropropyl(diphenyl)phosphane.

Molecular Properties

Compound Name3-chloropropyl(diphenyl)phosphane
PubChem CID608029
Molecular FormulaC15H16ClP
Molecular Weight262.72 g/mol
Exact Mass262.07
IUPAC Name3-chloropropyl(diphenyl)phosphane
SMILESClCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16ClP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyJSXCOEFXLJZYMF-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl(diphenyl)phosphane?
The IUPAC name of 3-chloropropyl(diphenyl)phosphane (CID 608029) is 3-chloropropyl(diphenyl)phosphane.
What is the SMILES notation for 3-chloropropyl(diphenyl)phosphane?
The canonical SMILES for 3-chloropropyl(diphenyl)phosphane is ClCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-chloropropyl(diphenyl)phosphane?
The InChIKey is JSXCOEFXLJZYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClP/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 3-chloropropyl(diphenyl)phosphane?
3-chloropropyl(diphenyl)phosphane has a molecular weight of 262.72 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl(diphenyl)phosphane is sourced from PubChem (CID 608029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).