(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide

C26H25BrOP+ — CID 175467384

IUPAC(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
SMILESBr.COc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24OP.BrH/c1-27-26-20-12-11-13-22(26)21-28(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-20H,21H2,1H3;1H/q+1;
InChIKeyRJBIZYPWEQXTTE-UHFFFAOYSA-N
MW464.36 g/mol
LogP5.77
Rot. Bonds6

About (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide

(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide (PubChem CID 175467384) has the molecular formula C26H25BrOP+ and a molecular weight of 464.36 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
PubChem CID175467384
Molecular FormulaC26H25BrOP+
Molecular Weight464.36 g/mol
Exact Mass463.08
IUPAC Name(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
SMILESBr.COc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24OP.BrH/c1-27-26-20-12-11-13-22(26)21-28(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-20H,21H2,1H3;1H/q+1;
InChIKeyRJBIZYPWEQXTTE-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 55.77
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-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
(2-methoxycarbonyloxyphenyl)methyl-triphenylphosphanium
CID 10791716
(4-methoxy-2,3-dimethylphenyl)methyl-triphenylphosphanium
CID 87697377
triphenyl-[(2,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;hydrate
CID 139062047
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
CID 174764929
triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
CID 19423967
(2-amino-6-methoxyphenyl)methyl-triphenylphosphanium
CID 10227540
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide?
The IUPAC name of (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide (CID 175467384) is (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide.
What is the SMILES notation for (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide?
The canonical SMILES for (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide is Br.COc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide?
The InChIKey is RJBIZYPWEQXTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24OP.BrH/c1-27-26-20-12-11-13-22(26)21-28(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-20H,21H2,1H3;1H/q+1;.
What are the key properties of (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide?
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide has a molecular weight of 464.36 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide is sourced from PubChem (CID 175467384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).