(2,6-dimethylphenyl)methylphosphane;hydrobromide

C9H14BrP — CID 173123679

IUPAC(2,6-dimethylphenyl)methylphosphane;hydrobromide
SMILESBr.Cc1cccc(C)c1CP
InChIInChI=1S/C9H13P.BrH/c1-7-4-3-5-8(2)9(7)6-10;/h3-5H,6,10H2,1-2H3;1H
InChIKeyJSKGRQVKJDFFJM-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.26
Rot. Bonds1

About (2,6-dimethylphenyl)methylphosphane;hydrobromide

(2,6-dimethylphenyl)methylphosphane;hydrobromide (PubChem CID 173123679) has the molecular formula C9H14BrP and a molecular weight of 233.09 g/mol. Its IUPAC name is (2,6-dimethylphenyl)methylphosphane;hydrobromide.

Molecular Properties

Compound Name(2,6-dimethylphenyl)methylphosphane;hydrobromide
PubChem CID173123679
Molecular FormulaC9H14BrP
Molecular Weight233.09 g/mol
Exact Mass232.00
IUPAC Name(2,6-dimethylphenyl)methylphosphane;hydrobromide
SMILESBr.Cc1cccc(C)c1CP
InChIInChI=1S/C9H13P.BrH/c1-7-4-3-5-8(2)9(7)6-10;/h3-5H,6,10H2,1-2H3;1H
InChIKeyJSKGRQVKJDFFJM-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,6-dimethylphenyl)methylphosphane;hydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

(2-ethyl-6-methylphenyl)methylphosphane
CID 68944647
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
2-(dichlorophosphorylmethyl)-1,3-dimethylbenzene
CID 139980761
1,2-xylene;tetrahydrobromide
CID 172843014
2-[2-[2-(2,6-dimethylphenyl)ethoxy]ethyl]-1,3-dimethylbenzene
CID 139601622
2-(hydroxymethyl)-3-methylphenol
CID 10997099
2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene
CID 58149351
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
3-(2,6-dimethylphenyl)propanal
CID 73014071
1-(2,6-dimethylphenyl)-N-methylmethanamine;molecular hydrogen
CID 171631907
2-but-2-ynyl-1,3-dimethylbenzene
CID 173046001

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)methylphosphane;hydrobromide?
The IUPAC name of (2,6-dimethylphenyl)methylphosphane;hydrobromide (CID 173123679) is (2,6-dimethylphenyl)methylphosphane;hydrobromide.
What is the SMILES notation for (2,6-dimethylphenyl)methylphosphane;hydrobromide?
The canonical SMILES for (2,6-dimethylphenyl)methylphosphane;hydrobromide is Br.Cc1cccc(C)c1CP.
What is the InChIKey of (2,6-dimethylphenyl)methylphosphane;hydrobromide?
The InChIKey is JSKGRQVKJDFFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13P.BrH/c1-7-4-3-5-8(2)9(7)6-10;/h3-5H,6,10H2,1-2H3;1H.
What are the key properties of (2,6-dimethylphenyl)methylphosphane;hydrobromide?
(2,6-dimethylphenyl)methylphosphane;hydrobromide has a molecular weight of 233.09 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)methylphosphane;hydrobromide is sourced from PubChem (CID 173123679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).