dichloromethane;diphenylphosphane

C13H13Cl2P — CID 158269242

IUPACdichloromethane;diphenylphosphane
SMILESClCCl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.CH2Cl2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h1-10,13H;1H2
InChIKeyGIVBVAPPTUEILS-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.74
Rot. Bonds2

About dichloromethane;diphenylphosphane

dichloromethane;diphenylphosphane (PubChem CID 158269242) has the molecular formula C13H13Cl2P and a molecular weight of 271.13 g/mol. Its IUPAC name is dichloromethane;diphenylphosphane.

Molecular Properties

Compound Namedichloromethane;diphenylphosphane
PubChem CID158269242
Molecular FormulaC13H13Cl2P
Molecular Weight271.13 g/mol
Exact Mass270.01
IUPAC Namedichloromethane;diphenylphosphane
SMILESClCCl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.CH2Cl2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h1-10,13H;1H2
InChIKeyGIVBVAPPTUEILS-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.74
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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Related Compounds

diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
bis(diphenylphosphane);nickel
CID 172733587
diphenylphosphane;trichlororuthenium
CID 162065304
dichloropalladium;diphenylphosphane;iron
CID 175532989
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
CID 18326967
diphenylphosphane;ethylphosphane
CID 158116406
bis(diphenylphosphane);ethanol
CID 175242741
butane;dichloronickel;diphenylphosphane
CID 160852831
diphenylphosphane;phosphorous acid
CID 158763055
benzene-1,4-diol;diphenylphosphane
CID 70153043
diphenylphosphane;iron(3+);methanone
CID 174711189

Frequently Asked Questions

What is the IUPAC name of dichloromethane;diphenylphosphane?
The IUPAC name of dichloromethane;diphenylphosphane (CID 158269242) is dichloromethane;diphenylphosphane.
What is the SMILES notation for dichloromethane;diphenylphosphane?
The canonical SMILES for dichloromethane;diphenylphosphane is ClCCl.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of dichloromethane;diphenylphosphane?
The InChIKey is GIVBVAPPTUEILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.CH2Cl2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h1-10,13H;1H2.
What are the key properties of dichloromethane;diphenylphosphane?
dichloromethane;diphenylphosphane has a molecular weight of 271.13 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;diphenylphosphane is sourced from PubChem (CID 158269242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).