1,4-dichlorobutyl(diphenyl)phosphane

C16H17Cl2P — CID 57014439

IUPAC1,4-dichlorobutyl(diphenyl)phosphane
SMILESClCCCC(Cl)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17Cl2P/c17-13-7-12-16(18)19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyTVCOKXOHSGZORS-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.70
Rot. Bonds6

About 1,4-dichlorobutyl(diphenyl)phosphane

1,4-dichlorobutyl(diphenyl)phosphane (PubChem CID 57014439) has the molecular formula C16H17Cl2P and a molecular weight of 311.19 g/mol. Its IUPAC name is 1,4-dichlorobutyl(diphenyl)phosphane.

Molecular Properties

Compound Name1,4-dichlorobutyl(diphenyl)phosphane
PubChem CID57014439
Molecular FormulaC16H17Cl2P
Molecular Weight311.19 g/mol
Exact Mass310.04
IUPAC Name1,4-dichlorobutyl(diphenyl)phosphane
SMILESClCCCC(Cl)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17Cl2P/c17-13-7-12-16(18)19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyTVCOKXOHSGZORS-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.70
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 1,4-dichlorobutyl(diphenyl)phosphane?
The IUPAC name of 1,4-dichlorobutyl(diphenyl)phosphane (CID 57014439) is 1,4-dichlorobutyl(diphenyl)phosphane.
What is the SMILES notation for 1,4-dichlorobutyl(diphenyl)phosphane?
The canonical SMILES for 1,4-dichlorobutyl(diphenyl)phosphane is ClCCCC(Cl)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-dichlorobutyl(diphenyl)phosphane?
The InChIKey is TVCOKXOHSGZORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2P/c17-13-7-12-16(18)19(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2.
What are the key properties of 1,4-dichlorobutyl(diphenyl)phosphane?
1,4-dichlorobutyl(diphenyl)phosphane has a molecular weight of 311.19 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichlorobutyl(diphenyl)phosphane is sourced from PubChem (CID 57014439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).