(2-methoxyphenyl)-triphenylphosphanium bromide

C25H22BrOP — CID 18355982

IUPAC(2-methoxyphenyl)-triphenylphosphanium bromide
SMILESCOc1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C25H22OP.BrH/c1-26-24-19-11-12-20-25(24)27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23;/h2-20H,1H3;1H/q+1;/p-1
InChIKeyPNAWWVFMPMNZGU-UHFFFAOYSA-M
MW449.33 g/mol
LogP1.32
Rot. Bonds5

About (2-methoxyphenyl)-triphenylphosphanium bromide

(2-methoxyphenyl)-triphenylphosphanium bromide (PubChem CID 18355982) has the molecular formula C25H22BrOP and a molecular weight of 449.33 g/mol. Its IUPAC name is (2-methoxyphenyl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(2-methoxyphenyl)-triphenylphosphanium bromide
PubChem CID18355982
Molecular FormulaC25H22BrOP
Molecular Weight449.33 g/mol
Exact Mass448.06
IUPAC Name(2-methoxyphenyl)-triphenylphosphanium bromide
SMILESCOc1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C25H22OP.BrH/c1-26-24-19-11-12-20-25(24)27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23;/h2-20H,1H3;1H/q+1;/p-1
InChIKeyPNAWWVFMPMNZGU-UHFFFAOYSA-M
XLogP1.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 51.32
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

[2-(8-methoxynaphthalen-1-yl)phenyl]-triphenylphosphanium
CID 156571682
ethanolate;(2-phenoxyphenyl)-triphenylphosphanium
CID 18356110
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
hydroxy-tris(2-methoxyphenyl)phosphanium
CID 87283102
boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium
CID 175447318
(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide
CID 87661326
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
CID 174642384
(2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium
CID 71403133
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
(1S,2R)-1,2-bis(2-methoxyphenyl)-N,N'-diphenylethane-1,2-diamine
CID 12543528

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-triphenylphosphanium bromide?
The IUPAC name of (2-methoxyphenyl)-triphenylphosphanium bromide (CID 18355982) is (2-methoxyphenyl)-triphenylphosphanium bromide.
What is the SMILES notation for (2-methoxyphenyl)-triphenylphosphanium bromide?
The canonical SMILES for (2-methoxyphenyl)-triphenylphosphanium bromide is COc1ccccc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (2-methoxyphenyl)-triphenylphosphanium bromide?
The InChIKey is PNAWWVFMPMNZGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22OP.BrH/c1-26-24-19-11-12-20-25(24)27(21-13-5-2-6-14-21,22-15-7-3-8-16-22)23-17-9-4-10-18-23;/h2-20H,1H3;1H/q+1;/p-1.
What are the key properties of (2-methoxyphenyl)-triphenylphosphanium bromide?
(2-methoxyphenyl)-triphenylphosphanium bromide has a molecular weight of 449.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-triphenylphosphanium bromide is sourced from PubChem (CID 18355982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).