[(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium

C33H30OP+ — CID 57380465

IUPAC[(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium
SMILESCOc1ccc(C(c2ccc(C)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30OP/c1-26-18-20-27(21-19-26)33(28-22-24-29(34-2)25-23-28)35(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25,33H,1-2H3/q+1
InChIKeyZERSYWBXHCEPBX-UHFFFAOYSA-N
MW473.58 g/mol
LogP7.09
Rot. Bonds7

About [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium

[(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium (PubChem CID 57380465) has the molecular formula C33H30OP+ and a molecular weight of 473.58 g/mol. Its IUPAC name is [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium
PubChem CID57380465
Molecular FormulaC33H30OP+
Molecular Weight473.58 g/mol
Exact Mass473.20
IUPAC Name[(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium
SMILESCOc1ccc(C(c2ccc(C)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H30OP/c1-26-18-20-27(21-19-26)33(28-22-24-29(34-2)25-23-28)35(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25,33H,1-2H3/q+1
InChIKeyZERSYWBXHCEPBX-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 57.09
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

1-(113C)methoxy-4-methylbenzene
CID 166176950
[(4-methylphenyl)-triphenylphosphaniumylmethyl]-triphenylphosphanium
CID 18785079
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-4-methylbenzene;phenol
CID 167630836
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
anisole;ethane;methoxymethane;toluene
CID 91157363
anisole;ethane;methane;toluene
CID 162203446
1-methoxy-4-methylbenzene;propane
CID 142064987

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium?
The IUPAC name of [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium (CID 57380465) is [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium.
What is the SMILES notation for [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium?
The canonical SMILES for [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium is COc1ccc(C(c2ccc(C)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium?
The InChIKey is ZERSYWBXHCEPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30OP/c1-26-18-20-27(21-19-26)33(28-22-24-29(34-2)25-23-28)35(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32/h3-25,33H,1-2H3/q+1.
What are the key properties of [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium?
[(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium has a molecular weight of 473.58 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)-(4-methylphenyl)methyl]-triphenylphosphanium is sourced from PubChem (CID 57380465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).