bis(3,5-dimethylphenyl)methylphosphane

C17H21P — CID 23104852

IUPACbis(3,5-dimethylphenyl)methylphosphane
SMILESCc1cc(C)cc(C(P)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21P/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10,17H,18H2,1-4H3
InChIKeySCLDQQZURQEJAN-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.88
Rot. Bonds2

About bis(3,5-dimethylphenyl)methylphosphane

bis(3,5-dimethylphenyl)methylphosphane (PubChem CID 23104852) has the molecular formula C17H21P and a molecular weight of 256.33 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)methylphosphane.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)methylphosphane
PubChem CID23104852
Molecular FormulaC17H21P
Molecular Weight256.33 g/mol
Exact Mass256.14
IUPAC Namebis(3,5-dimethylphenyl)methylphosphane
SMILESCc1cc(C)cc(C(P)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21P/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10,17H,18H2,1-4H3
InChIKeySCLDQQZURQEJAN-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(3,5-dimethylphenyl)methylphosphane 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 bis(3,5-dimethylphenyl)methylphosphane?
The IUPAC name of bis(3,5-dimethylphenyl)methylphosphane (CID 23104852) is bis(3,5-dimethylphenyl)methylphosphane.
What is the SMILES notation for bis(3,5-dimethylphenyl)methylphosphane?
The canonical SMILES for bis(3,5-dimethylphenyl)methylphosphane is Cc1cc(C)cc(C(P)c2cc(C)cc(C)c2)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)methylphosphane?
The InChIKey is SCLDQQZURQEJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21P/c1-11-5-12(2)8-15(7-11)17(18)16-9-13(3)6-14(4)10-16/h5-10,17H,18H2,1-4H3.
What are the key properties of bis(3,5-dimethylphenyl)methylphosphane?
bis(3,5-dimethylphenyl)methylphosphane has a molecular weight of 256.33 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)methylphosphane is sourced from PubChem (CID 23104852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).