(2-methylphenyl)methyl-triphenylphosphanium iodide

C26H24IP — CID 169490817

IUPAC(2-methylphenyl)methyl-triphenylphosphanium iodide
SMILESCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C26H24P.HI/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKeyVFAAVLJTEZWRLV-UHFFFAOYSA-M
MW494.36 g/mol
LogP2.49
Rot. Bonds5

About (2-methylphenyl)methyl-triphenylphosphanium iodide

(2-methylphenyl)methyl-triphenylphosphanium iodide (PubChem CID 169490817) has the molecular formula C26H24IP and a molecular weight of 494.36 g/mol. Its IUPAC name is (2-methylphenyl)methyl-triphenylphosphanium iodide.

Molecular Properties

Compound Name(2-methylphenyl)methyl-triphenylphosphanium iodide
PubChem CID169490817
Molecular FormulaC26H24IP
Molecular Weight494.36 g/mol
Exact Mass494.07
IUPAC Name(2-methylphenyl)methyl-triphenylphosphanium iodide
SMILESCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C26H24P.HI/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKeyVFAAVLJTEZWRLV-UHFFFAOYSA-M
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)
CID 19429058
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
CID 158901182
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
CID 174764929
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
[2-(2-bromoethyl)phenyl]methyl-triphenylphosphanium
CID 5143606
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
(2-octylphenyl)methyl-triphenylphosphanium
CID 90019944
(4-methoxy-2,3-dimethylphenyl)methyl-triphenylphosphanium
CID 87697377
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl-triphenylphosphanium iodide?
The IUPAC name of (2-methylphenyl)methyl-triphenylphosphanium iodide (CID 169490817) is (2-methylphenyl)methyl-triphenylphosphanium iodide.
What is the SMILES notation for (2-methylphenyl)methyl-triphenylphosphanium iodide?
The canonical SMILES for (2-methylphenyl)methyl-triphenylphosphanium iodide is Cc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of (2-methylphenyl)methyl-triphenylphosphanium iodide?
The InChIKey is VFAAVLJTEZWRLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24P.HI/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1.
What are the key properties of (2-methylphenyl)methyl-triphenylphosphanium iodide?
(2-methylphenyl)methyl-triphenylphosphanium iodide has a molecular weight of 494.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl-triphenylphosphanium iodide is sourced from PubChem (CID 169490817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).