(4-methoxyphenyl)methyl-triphenylphosphanium chloride

C26H24ClOP — CID 2773651

IUPAC(4-methoxyphenyl)methyl-triphenylphosphanium chloride
SMILESCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKeyYQXBNCFNXOFWLR-UHFFFAOYSA-M
MW418.90 g/mol
LogP2.19
Rot. Bonds6

About (4-methoxyphenyl)methyl-triphenylphosphanium chloride

(4-methoxyphenyl)methyl-triphenylphosphanium chloride (PubChem CID 2773651) has the molecular formula C26H24ClOP and a molecular weight of 418.90 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-triphenylphosphanium chloride
PubChem CID2773651
Molecular FormulaC26H24ClOP
Molecular Weight418.90 g/mol
Exact Mass418.13
IUPAC Name(4-methoxyphenyl)methyl-triphenylphosphanium chloride
SMILESCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKeyYQXBNCFNXOFWLR-UHFFFAOYSA-M
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chlorotrianisene
CID 11289
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
Phosphine, tris(4-methoxyphenyl)-
CID 70071
Photoanethole
CID 641296
1-methoxy-4-[(E)-2-(4-methylphenyl)vinyl]benzene
CID 639952
1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 14954814
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
4,4'-Dimethoxystilbene
CID 20828
Tris(2-methoxyphenyl)phosphine
CID 78464
p,p'-Dimethoxystilbene
CID 1550828

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-triphenylphosphanium chloride?
The IUPAC name of (4-methoxyphenyl)methyl-triphenylphosphanium chloride (CID 2773651) is (4-methoxyphenyl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (4-methoxyphenyl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (4-methoxyphenyl)methyl-triphenylphosphanium chloride is COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-].
What is the InChIKey of (4-methoxyphenyl)methyl-triphenylphosphanium chloride?
The InChIKey is YQXBNCFNXOFWLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1.
What are the key properties of (4-methoxyphenyl)methyl-triphenylphosphanium chloride?
(4-methoxyphenyl)methyl-triphenylphosphanium chloride has a molecular weight of 418.90 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 2773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).