1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium

C22H22P+ — CID 151006478

IUPAC1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium
SMILESCC(c1cccc(C)c1C)=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22P/c1-17-11-10-16-22(18(17)2)19(3)23(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16H,1-3H3/q+1
InChIKeySUISEIKAOGBRLB-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.98
Rot. Bonds3

About 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium

1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium (PubChem CID 151006478) has the molecular formula C22H22P+ and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium
PubChem CID151006478
Molecular FormulaC22H22P+
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium
SMILESCC(c1cccc(C)c1C)=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22P/c1-17-11-10-16-22(18(17)2)19(3)23(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16H,1-3H3/q+1
InChIKeySUISEIKAOGBRLB-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium 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 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium?
The IUPAC name of 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium (CID 151006478) is 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium.
What is the SMILES notation for 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium?
The canonical SMILES for 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium is CC(c1cccc(C)c1C)=[P+](c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium?
The InChIKey is SUISEIKAOGBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22P/c1-17-11-10-16-22(18(17)2)19(3)23(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16H,1-3H3/q+1.
What are the key properties of 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium?
1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium has a molecular weight of 317.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)ethylidene-diphenylphosphanium is sourced from PubChem (CID 151006478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).