(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium

C27H26OP+ — CID 91016846

IUPAC(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
SMILESCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C27H26OP/c1-22-10-9-15-27(20-22)29(25-11-5-3-6-12-25,26-13-7-4-8-14-26)21-23-16-18-24(28-2)19-17-23/h3-20H,21H2,1-2H3/q+1
InChIKeyBTZZRQUBUPHEOM-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.50
Rot. Bonds6

About (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium

(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium (PubChem CID 91016846) has the molecular formula C27H26OP+ and a molecular weight of 397.48 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
PubChem CID91016846
Molecular FormulaC27H26OP+
Molecular Weight397.48 g/mol
Exact Mass397.17
IUPAC Name(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium
SMILESCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C27H26OP/c1-22-10-9-15-27(20-22)29(25-11-5-3-6-12-25,26-13-7-4-8-14-26)21-23-16-18-24(28-2)19-17-23/h3-20H,21H2,1-2H3/q+1
InChIKeyBTZZRQUBUPHEOM-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.50
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

(3-methoxyphenyl)methyl-tris(3-methylphenyl)phosphanium
CID 18958181
acetic acid;tris(3-methylphenyl)-[(4-methylphenyl)methyl]phosphanium;acetate
CID 23192651
(3,4-dichlorophenyl)methyl-tris(3-methylphenyl)phosphanium chloride
CID 19009660
(4-ethoxyphenyl)methyl-triphenylphosphanium;dihydrochloride
CID 174834857
[4-(bromomethyl)phenyl]methyl-tris(4-methoxyphenyl)phosphanium bromide
CID 23631361
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
CID 45043532
(3-methylphenyl)methyl-triphenylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139734585
(4-acetyloxyphenyl)methyl-triphenylphosphanium
CID 71340260
tris(4-methylphenyl)-[[4-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenoxy]phenyl]methyl]phosphanium
CID 57343191

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium?
The IUPAC name of (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium (CID 91016846) is (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium?
The canonical SMILES for (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium is COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2cccc(C)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium?
The InChIKey is BTZZRQUBUPHEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26OP/c1-22-10-9-15-27(20-22)29(25-11-5-3-6-12-25,26-13-7-4-8-14-26)21-23-16-18-24(28-2)19-17-23/h3-20H,21H2,1-2H3/q+1.
What are the key properties of (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium?
(4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium has a molecular weight of 397.48 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-(3-methylphenyl)-diphenylphosphanium is sourced from PubChem (CID 91016846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).