(2-ethylphenyl)methyl-triphenylphosphanium bromide

C27H26BrP — CID 87630511

IUPAC(2-ethylphenyl)methyl-triphenylphosphanium bromide
SMILESCCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C27H26P.BrH/c1-2-23-14-12-13-15-24(23)22-28(25-16-6-3-7-17-25,26-18-8-4-9-19-26)27-20-10-5-11-21-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1
InChIKeyBEPPEMOIIVBFAA-UHFFFAOYSA-M
MW461.38 g/mol
LogP2.75
Rot. Bonds6

About (2-ethylphenyl)methyl-triphenylphosphanium bromide

(2-ethylphenyl)methyl-triphenylphosphanium bromide (PubChem CID 87630511) has the molecular formula C27H26BrP and a molecular weight of 461.38 g/mol. Its IUPAC name is (2-ethylphenyl)methyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name(2-ethylphenyl)methyl-triphenylphosphanium bromide
PubChem CID87630511
Molecular FormulaC27H26BrP
Molecular Weight461.38 g/mol
Exact Mass460.10
IUPAC Name(2-ethylphenyl)methyl-triphenylphosphanium bromide
SMILESCCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C27H26P.BrH/c1-2-23-14-12-13-15-24(23)22-28(25-16-6-3-7-17-25,26-18-8-4-9-19-26)27-20-10-5-11-21-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1
InChIKeyBEPPEMOIIVBFAA-UHFFFAOYSA-M
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,5-diethylphenyl)methyl-triphenylphosphanium bromide
CID 87629549
(2-octylphenyl)methyl-triphenylphosphanium
CID 90019944
(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817
(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl-triphenylphosphanium bromide
CID 10028596
[2-(2-bromoethyl)phenyl]methyl-triphenylphosphanium
CID 5143606
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
CID 158901182
[2-[methyl(methylsulfonyl)amino]phenyl]methyl-triphenylphosphanium bromide
CID 25179010
1,2-diethylbenzene;hydrobromide
CID 174973685
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
CID 174764929
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114
[2,5-diiodo-4-(triphenylphosphaniumylmethyl)phenyl]methyl-triphenylphosphanium dibromide
CID 23655557

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)methyl-triphenylphosphanium bromide?
The IUPAC name of (2-ethylphenyl)methyl-triphenylphosphanium bromide (CID 87630511) is (2-ethylphenyl)methyl-triphenylphosphanium bromide.
What is the SMILES notation for (2-ethylphenyl)methyl-triphenylphosphanium bromide?
The canonical SMILES for (2-ethylphenyl)methyl-triphenylphosphanium bromide is CCc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (2-ethylphenyl)methyl-triphenylphosphanium bromide?
The InChIKey is BEPPEMOIIVBFAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26P.BrH/c1-2-23-14-12-13-15-24(23)22-28(25-16-6-3-7-17-25,26-18-8-4-9-19-26)27-20-10-5-11-21-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1.
What are the key properties of (2-ethylphenyl)methyl-triphenylphosphanium bromide?
(2-ethylphenyl)methyl-triphenylphosphanium bromide has a molecular weight of 461.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)methyl-triphenylphosphanium bromide is sourced from PubChem (CID 87630511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).