4-chlorobutyl(diphenyl)phosphane

C16H18ClP — CID 15347979

IUPAC4-chlorobutyl(diphenyl)phosphane
SMILESClCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyBLXMZHVIJYFKJE-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.14
Rot. Bonds6

About 4-chlorobutyl(diphenyl)phosphane

4-chlorobutyl(diphenyl)phosphane (PubChem CID 15347979) has the molecular formula C16H18ClP and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chlorobutyl(diphenyl)phosphane.

Molecular Properties

Compound Name4-chlorobutyl(diphenyl)phosphane
PubChem CID15347979
Molecular FormulaC16H18ClP
Molecular Weight276.75 g/mol
Exact Mass276.08
IUPAC Name4-chlorobutyl(diphenyl)phosphane
SMILESClCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyBLXMZHVIJYFKJE-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-chlorobutyl(diphenyl)phosphane?
The IUPAC name of 4-chlorobutyl(diphenyl)phosphane (CID 15347979) is 4-chlorobutyl(diphenyl)phosphane.
What is the SMILES notation for 4-chlorobutyl(diphenyl)phosphane?
The canonical SMILES for 4-chlorobutyl(diphenyl)phosphane is ClCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-chlorobutyl(diphenyl)phosphane?
The InChIKey is BLXMZHVIJYFKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClP/c17-13-7-8-14-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2.
What are the key properties of 4-chlorobutyl(diphenyl)phosphane?
4-chlorobutyl(diphenyl)phosphane has a molecular weight of 276.75 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutyl(diphenyl)phosphane is sourced from PubChem (CID 15347979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).