[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide

C27H26BrOP — CID 45043532

IUPAC[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
SMILESCOCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-]
InChIInChI=1S/C27H26OP.BrH/c1-28-21-23-12-11-13-24(20-23)22-29(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-20H,21-22H2,1H3;1H/q+1;/p-1
InChIKeyARBFBXMGVLXTBC-UHFFFAOYSA-M
MW477.38 g/mol
LogP2.33
Rot. Bonds7

About [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide

[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide (PubChem CID 45043532) has the molecular formula C27H26BrOP and a molecular weight of 477.38 g/mol. Its IUPAC name is [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
PubChem CID45043532
Molecular FormulaC27H26BrOP
Molecular Weight477.38 g/mol
Exact Mass476.09
IUPAC Name[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
SMILESCOCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-]
InChIInChI=1S/C27H26OP.BrH/c1-28-21-23-12-11-13-24(20-23)22-29(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-20H,21-22H2,1H3;1H/q+1;/p-1
InChIKeyARBFBXMGVLXTBC-UHFFFAOYSA-M
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 52.33
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-(2-methoxy-2-oxoethyl)phenyl]methyl-triphenylphosphanium bromide
CID 88721522
[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
CID 19744545
bromomethane;3-(hydroxymethyl)phenol;(3-hydroxyphenyl)methyl-triphenylphosphanium;bromide
CID 160807676
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
(3-methylsulfinylphenyl)methyl-triphenylphosphanium
CID 139734572
methoxymethylbenzene;silane
CID 174277199

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide?
The IUPAC name of [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide (CID 45043532) is [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide.
What is the SMILES notation for [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide?
The canonical SMILES for [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide is COCc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Br-].
What is the InChIKey of [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide?
The InChIKey is ARBFBXMGVLXTBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26OP.BrH/c1-28-21-23-12-11-13-24(20-23)22-29(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27;/h2-20H,21-22H2,1H3;1H/q+1;/p-1.
What are the key properties of [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide?
[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide has a molecular weight of 477.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide is sourced from PubChem (CID 45043532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).