chloro-(3,5-dimethylphenyl)-methylphosphane

C9H12ClP — CID 175052085

IUPACchloro-(3,5-dimethylphenyl)-methylphosphane
SMILESCc1cc(C)cc(P(C)Cl)c1
InChIInChI=1S/C9H12ClP/c1-7-4-8(2)6-9(5-7)11(3)10/h4-6H,1-3H3
InChIKeyHAJURSIJAGPDII-UHFFFAOYSA-N
MW186.62 g/mol
LogP3.19
Rot. Bonds1

About chloro-(3,5-dimethylphenyl)-methylphosphane

chloro-(3,5-dimethylphenyl)-methylphosphane (PubChem CID 175052085) has the molecular formula C9H12ClP and a molecular weight of 186.62 g/mol. Its IUPAC name is chloro-(3,5-dimethylphenyl)-methylphosphane.

Molecular Properties

Compound Namechloro-(3,5-dimethylphenyl)-methylphosphane
PubChem CID175052085
Molecular FormulaC9H12ClP
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Namechloro-(3,5-dimethylphenyl)-methylphosphane
SMILESCc1cc(C)cc(P(C)Cl)c1
InChIInChI=1S/C9H12ClP/c1-7-4-8(2)6-9(5-7)11(3)10/h4-6H,1-3H3
InChIKeyHAJURSIJAGPDII-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(3,5-dimethylphenyl)-methylphosphane?
The IUPAC name of chloro-(3,5-dimethylphenyl)-methylphosphane (CID 175052085) is chloro-(3,5-dimethylphenyl)-methylphosphane.
What is the SMILES notation for chloro-(3,5-dimethylphenyl)-methylphosphane?
The canonical SMILES for chloro-(3,5-dimethylphenyl)-methylphosphane is Cc1cc(C)cc(P(C)Cl)c1.
What is the InChIKey of chloro-(3,5-dimethylphenyl)-methylphosphane?
The InChIKey is HAJURSIJAGPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClP/c1-7-4-8(2)6-9(5-7)11(3)10/h4-6H,1-3H3.
What are the key properties of chloro-(3,5-dimethylphenyl)-methylphosphane?
chloro-(3,5-dimethylphenyl)-methylphosphane has a molecular weight of 186.62 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3,5-dimethylphenyl)-methylphosphane is sourced from PubChem (CID 175052085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).