methyl-diphenyl-prop-1-en-2-ylphosphanium

C16H18P+ — CID 4055075

IUPACmethyl-diphenyl-prop-1-en-2-ylphosphanium
SMILESC=C(C)[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18P/c1-14(2)17(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1H2,2-3H3/q+1
InChIKeyIPIAOISPNXRTQT-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.82
Rot. Bonds3

About methyl-diphenyl-prop-1-en-2-ylphosphanium

methyl-diphenyl-prop-1-en-2-ylphosphanium (PubChem CID 4055075) has the molecular formula C16H18P+ and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl-diphenyl-prop-1-en-2-ylphosphanium.

Molecular Properties

Compound Namemethyl-diphenyl-prop-1-en-2-ylphosphanium
PubChem CID4055075
Molecular FormulaC16H18P+
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl-diphenyl-prop-1-en-2-ylphosphanium
SMILESC=C(C)[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18P/c1-14(2)17(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1H2,2-3H3/q+1
InChIKeyIPIAOISPNXRTQT-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-diphenyl-prop-1-en-2-ylphosphanium 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

Diphenyl diselenide
CID 15460
Triphenylphosphine
CID 11776
Triphenylphosphine Oxide
CID 13097
Diphenylmercury
CID 11488
Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenylphosphonium
CID 164912
Diphenyl ditelluride
CID 100657
Butyltriphenylphosphonium bromide
CID 159628
Chlorodiphenylphosphine
CID 66180
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Tetraphenylphosphonium Bromide
CID 2724163
1,2-Bis(diphenylphosphino)ethane
CID 74267

Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-prop-1-en-2-ylphosphanium?
The IUPAC name of methyl-diphenyl-prop-1-en-2-ylphosphanium (CID 4055075) is methyl-diphenyl-prop-1-en-2-ylphosphanium.
What is the SMILES notation for methyl-diphenyl-prop-1-en-2-ylphosphanium?
The canonical SMILES for methyl-diphenyl-prop-1-en-2-ylphosphanium is C=C(C)[P+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-diphenyl-prop-1-en-2-ylphosphanium?
The InChIKey is IPIAOISPNXRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18P/c1-14(2)17(3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,1H2,2-3H3/q+1.
What are the key properties of methyl-diphenyl-prop-1-en-2-ylphosphanium?
methyl-diphenyl-prop-1-en-2-ylphosphanium has a molecular weight of 241.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-prop-1-en-2-ylphosphanium is sourced from PubChem (CID 4055075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).