6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide

C32H36BrO2P — CID 10602993

IUPAC6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
SMILESCOc1ccc(COCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C32H36O2P.BrH/c1-33-29-23-21-28(22-24-29)27-34-25-13-2-3-14-26-35(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32;/h4-12,15-24H,2-3,13-14,25-27H2,1H3;1H/q+1;/p-1
InChIKeyMDLIUVMTGFPORQ-UHFFFAOYSA-M
MW563.52 g/mol
LogP3.77
Rot. Bonds13

About 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide

6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide (PubChem CID 10602993) has the molecular formula C32H36BrO2P and a molecular weight of 563.52 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
PubChem CID10602993
Molecular FormulaC32H36BrO2P
Molecular Weight563.52 g/mol
Exact Mass562.16
IUPAC Name6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
SMILESCOc1ccc(COCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C32H36O2P.BrH/c1-33-29-23-21-28(22-24-29)27-34-25-13-2-3-14-26-35(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32;/h4-12,15-24H,2-3,13-14,25-27H2,1H3;1H/q+1;/p-1
InChIKeyMDLIUVMTGFPORQ-UHFFFAOYSA-M
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 134481593
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1-methoxy-4-(octoxymethyl)benzene
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1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
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14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
CID 24742721
(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
CID 24900146
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10202731

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide (CID 10602993) is 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide is COc1ccc(COCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-].
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide?
The InChIKey is MDLIUVMTGFPORQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H36O2P.BrH/c1-33-29-23-21-28(22-24-29)27-34-25-13-2-3-14-26-35(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32;/h4-12,15-24H,2-3,13-14,25-27H2,1H3;1H/q+1;/p-1.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide?
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide has a molecular weight of 563.52 g/mol, XLogP of 3.77, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide is sourced from PubChem (CID 10602993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).