1-chlorobutyl(diphenyl)phosphane

C16H18ClP — CID 12548415

IUPAC1-chlorobutyl(diphenyl)phosphane
SMILESCCCC(Cl)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClP/c1-2-9-16(17)18(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3
InChIKeyDCDMSCZWGACAOP-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.48
Rot. Bonds5

About 1-chlorobutyl(diphenyl)phosphane

1-chlorobutyl(diphenyl)phosphane (PubChem CID 12548415) has the molecular formula C16H18ClP and a molecular weight of 276.75 g/mol. Its IUPAC name is 1-chlorobutyl(diphenyl)phosphane.

Molecular Properties

Compound Name1-chlorobutyl(diphenyl)phosphane
PubChem CID12548415
Molecular FormulaC16H18ClP
Molecular Weight276.75 g/mol
Exact Mass276.08
IUPAC Name1-chlorobutyl(diphenyl)phosphane
SMILESCCCC(Cl)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18ClP/c1-2-9-16(17)18(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3
InChIKeyDCDMSCZWGACAOP-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.48
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'}

Analyze 1-chlorobutyl(diphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chlorobutyl(diphenyl)phosphane?
The IUPAC name of 1-chlorobutyl(diphenyl)phosphane (CID 12548415) is 1-chlorobutyl(diphenyl)phosphane.
What is the SMILES notation for 1-chlorobutyl(diphenyl)phosphane?
The canonical SMILES for 1-chlorobutyl(diphenyl)phosphane is CCCC(Cl)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chlorobutyl(diphenyl)phosphane?
The InChIKey is DCDMSCZWGACAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClP/c1-2-9-16(17)18(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16H,2,9H2,1H3.
What are the key properties of 1-chlorobutyl(diphenyl)phosphane?
1-chlorobutyl(diphenyl)phosphane has a molecular weight of 276.75 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobutyl(diphenyl)phosphane is sourced from PubChem (CID 12548415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).