bis(3-chloropropyl)-phenylphosphane

C12H17Cl2P — CID 12557524

IUPACbis(3-chloropropyl)-phenylphosphane
SMILESClCCCP(CCCCl)c1ccccc1
InChIInChI=1S/C12H17Cl2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyWUNAOJRSZXZYGQ-UHFFFAOYSA-N
MW263.15 g/mol
LogP4.05
Rot. Bonds7

About bis(3-chloropropyl)-phenylphosphane

bis(3-chloropropyl)-phenylphosphane (PubChem CID 12557524) has the molecular formula C12H17Cl2P and a molecular weight of 263.15 g/mol. Its IUPAC name is bis(3-chloropropyl)-phenylphosphane.

Molecular Properties

Compound Namebis(3-chloropropyl)-phenylphosphane
PubChem CID12557524
Molecular FormulaC12H17Cl2P
Molecular Weight263.15 g/mol
Exact Mass262.04
IUPAC Namebis(3-chloropropyl)-phenylphosphane
SMILESClCCCP(CCCCl)c1ccccc1
InChIInChI=1S/C12H17Cl2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyWUNAOJRSZXZYGQ-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 54.05
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 bis(3-chloropropyl)-phenylphosphane?
The IUPAC name of bis(3-chloropropyl)-phenylphosphane (CID 12557524) is bis(3-chloropropyl)-phenylphosphane.
What is the SMILES notation for bis(3-chloropropyl)-phenylphosphane?
The canonical SMILES for bis(3-chloropropyl)-phenylphosphane is ClCCCP(CCCCl)c1ccccc1.
What is the InChIKey of bis(3-chloropropyl)-phenylphosphane?
The InChIKey is WUNAOJRSZXZYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2.
What are the key properties of bis(3-chloropropyl)-phenylphosphane?
bis(3-chloropropyl)-phenylphosphane has a molecular weight of 263.15 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropyl)-phenylphosphane is sourced from PubChem (CID 12557524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).