dichloro-(2,6-dimethylphenyl)phosphane

C8H9Cl2P — CID 13022153

IUPACdichloro-(2,6-dimethylphenyl)phosphane
SMILESCc1cccc(C)c1P(Cl)Cl
InChIInChI=1S/C8H9Cl2P/c1-6-4-3-5-7(2)8(6)11(9)10/h3-5H,1-2H3
InChIKeyLNBDJFXYNKUGTL-UHFFFAOYSA-N
MW207.04 g/mol
LogP3.72
Rot. Bonds1

About dichloro-(2,6-dimethylphenyl)phosphane

dichloro-(2,6-dimethylphenyl)phosphane (PubChem CID 13022153) has the molecular formula C8H9Cl2P and a molecular weight of 207.04 g/mol. Its IUPAC name is dichloro-(2,6-dimethylphenyl)phosphane.

Molecular Properties

Compound Namedichloro-(2,6-dimethylphenyl)phosphane
PubChem CID13022153
Molecular FormulaC8H9Cl2P
Molecular Weight207.04 g/mol
Exact Mass205.98
IUPAC Namedichloro-(2,6-dimethylphenyl)phosphane
SMILESCc1cccc(C)c1P(Cl)Cl
InChIInChI=1S/C8H9Cl2P/c1-6-4-3-5-7(2)8(6)11(9)10/h3-5H,1-2H3
InChIKeyLNBDJFXYNKUGTL-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dichloro-(2,6-dimethylphenyl)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 dichloro-(2,6-dimethylphenyl)phosphane?
The IUPAC name of dichloro-(2,6-dimethylphenyl)phosphane (CID 13022153) is dichloro-(2,6-dimethylphenyl)phosphane.
What is the SMILES notation for dichloro-(2,6-dimethylphenyl)phosphane?
The canonical SMILES for dichloro-(2,6-dimethylphenyl)phosphane is Cc1cccc(C)c1P(Cl)Cl.
What is the InChIKey of dichloro-(2,6-dimethylphenyl)phosphane?
The InChIKey is LNBDJFXYNKUGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2P/c1-6-4-3-5-7(2)8(6)11(9)10/h3-5H,1-2H3.
What are the key properties of dichloro-(2,6-dimethylphenyl)phosphane?
dichloro-(2,6-dimethylphenyl)phosphane has a molecular weight of 207.04 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2,6-dimethylphenyl)phosphane is sourced from PubChem (CID 13022153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).