(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)

C26H24Cl3CuP — CID 19429058

IUPAC(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)
SMILESCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Cu-](Cl)Cl
InChIInChI=1S/C26H24P.3ClH.Cu/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;3*1H;/q+1;;;;+2/p-3
InChIKeySPGCISZOKLXRPV-UHFFFAOYSA-K
MW537.36 g/mol
LogP7.56
Rot. Bonds5

About (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)

(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-) (PubChem CID 19429058) has the molecular formula C26H24Cl3CuP and a molecular weight of 537.36 g/mol. Its IUPAC name is (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-).

Molecular Properties

Compound Name(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)
PubChem CID19429058
Molecular FormulaC26H24Cl3CuP
Molecular Weight537.36 g/mol
Exact Mass535.00
IUPAC Name(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)
SMILESCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Cu-](Cl)Cl
InChIInChI=1S/C26H24P.3ClH.Cu/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;3*1H;/q+1;;;;+2/p-3
InChIKeySPGCISZOKLXRPV-UHFFFAOYSA-K
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.36
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
CID 158901182
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
CID 174764929
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
CID 67672299
CID 67672299
[2-(2-bromoethyl)phenyl]methyl-triphenylphosphanium
CID 5143606
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
(2-chloro-3-pyridinyl)methyl-triphenylphosphanium bromide
CID 86633273
(2-octylphenyl)methyl-triphenylphosphanium
CID 90019944

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)?
The IUPAC name of (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-) (CID 19429058) is (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-).
What is the SMILES notation for (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)?
The canonical SMILES for (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-) is Cc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Cu-](Cl)Cl.
What is the InChIKey of (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)?
The InChIKey is SPGCISZOKLXRPV-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H24P.3ClH.Cu/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;3*1H;/q+1;;;;+2/p-3.
What are the key properties of (2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-)?
(2-methylphenyl)methyl-triphenylphosphanium;trichlorocopper(1-) has a molecular weight of 537.36 g/mol, XLogP of 7.56, 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;trichlorocopper(1-) is sourced from PubChem (CID 19429058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).