tert-butyl-chloro-(3,5-dimethylphenyl)phosphane

C12H18ClP — CID 175050046

IUPACtert-butyl-chloro-(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Cl)C(C)(C)C)c1
InChIInChI=1S/C12H18ClP/c1-9-6-10(2)8-11(7-9)14(13)12(3,4)5/h6-8H,1-5H3
InChIKeyOZPXBTNWFZTJSK-UHFFFAOYSA-N
MW228.70 g/mol
LogP4.36
Rot. Bonds1

About tert-butyl-chloro-(3,5-dimethylphenyl)phosphane

tert-butyl-chloro-(3,5-dimethylphenyl)phosphane (PubChem CID 175050046) has the molecular formula C12H18ClP and a molecular weight of 228.70 g/mol. Its IUPAC name is tert-butyl-chloro-(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Nametert-butyl-chloro-(3,5-dimethylphenyl)phosphane
PubChem CID175050046
Molecular FormulaC12H18ClP
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Nametert-butyl-chloro-(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Cl)C(C)(C)C)c1
InChIInChI=1S/C12H18ClP/c1-9-6-10(2)8-11(7-9)14(13)12(3,4)5/h6-8H,1-5H3
InChIKeyOZPXBTNWFZTJSK-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-chloro-(3,5-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 tert-butyl-chloro-(3,5-dimethylphenyl)phosphane?
The IUPAC name of tert-butyl-chloro-(3,5-dimethylphenyl)phosphane (CID 175050046) is tert-butyl-chloro-(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for tert-butyl-chloro-(3,5-dimethylphenyl)phosphane?
The canonical SMILES for tert-butyl-chloro-(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(Cl)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-chloro-(3,5-dimethylphenyl)phosphane?
The InChIKey is OZPXBTNWFZTJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClP/c1-9-6-10(2)8-11(7-9)14(13)12(3,4)5/h6-8H,1-5H3.
What are the key properties of tert-butyl-chloro-(3,5-dimethylphenyl)phosphane?
tert-butyl-chloro-(3,5-dimethylphenyl)phosphane has a molecular weight of 228.70 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 175050046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).