[(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide

C24H27BrP+ — CID 126957255

IUPAC[(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide
SMILESBr.C/C=C/C[P+](Cc1cccc(C)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26P.BrH/c1-3-4-18-25(23-14-7-5-8-15-23,24-16-9-6-10-17-24)20-22-13-11-12-21(2)19-22;/h3-17,19H,18,20H2,1-2H3;1H/q+1;/b4-3+;
InChIKeyWUXMUULKJPRIJT-BJILWQEISA-N
MW426.36 g/mol
LogP6.32
Rot. Bonds6

About [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide

[(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide (PubChem CID 126957255) has the molecular formula C24H27BrP+ and a molecular weight of 426.36 g/mol. Its IUPAC name is [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide.

Molecular Properties

Compound Name[(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide
PubChem CID126957255
Molecular FormulaC24H27BrP+
Molecular Weight426.36 g/mol
Exact Mass425.10
IUPAC Name[(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide
SMILESBr.C/C=C/C[P+](Cc1cccc(C)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26P.BrH/c1-3-4-18-25(23-14-7-5-8-15-23,24-16-9-6-10-17-24)20-22-13-11-12-21(2)19-22;/h3-17,19H,18,20H2,1-2H3;1H/q+1;/b4-3+;
InChIKeyWUXMUULKJPRIJT-BJILWQEISA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.36
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl)methyl-diphenyl-[(E)-3-phenylprop-2-enyl]phosphanium
CID 6333479
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
2-carboxyethyl-ethyl-[(3-methylphenyl)methyl]-phenylphosphanium
CID 5179038
(3-methylphenyl)methyl-triphenylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139734585
4-methyl-5-(3-methylphenyl)pent-1-en-1-ol
CID 174388605
tris[(3-methylphenyl)methyl]phosphane
CID 19845609
2-[(3-methylphenyl)methyl]pentanedioic acid
CID 112511845
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide?
The IUPAC name of [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide (CID 126957255) is [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide.
What is the SMILES notation for [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide?
The canonical SMILES for [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide is Br.C/C=C/C[P+](Cc1cccc(C)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide?
The InChIKey is WUXMUULKJPRIJT-BJILWQEISA-N. The full InChI is InChI=1S/C24H26P.BrH/c1-3-4-18-25(23-14-7-5-8-15-23,24-16-9-6-10-17-24)20-22-13-11-12-21(2)19-22;/h3-17,19H,18,20H2,1-2H3;1H/q+1;/b4-3+;.
What are the key properties of [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide?
[(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide has a molecular weight of 426.36 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]-[(3-methylphenyl)methyl]-diphenylphosphanium;hydrobromide is sourced from PubChem (CID 126957255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).