(2-butylphenyl)-diphenylphosphanium bromide

C22H24BrP — CID 18702722

IUPAC(2-butylphenyl)-diphenylphosphanium bromide
SMILESCCCCc1ccccc1[PH+](c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H23P.BrH/c1-2-3-12-19-13-10-11-18-22(19)23(20-14-6-4-7-15-20)21-16-8-5-9-17-21;/h4-11,13-18H,2-3,12H2,1H3;1H
InChIKeySIDXFGMQLJSRTB-UHFFFAOYSA-N
MW399.31 g/mol
LogP1.52
Rot. Bonds6

About (2-butylphenyl)-diphenylphosphanium bromide

(2-butylphenyl)-diphenylphosphanium bromide (PubChem CID 18702722) has the molecular formula C22H24BrP and a molecular weight of 399.31 g/mol. Its IUPAC name is (2-butylphenyl)-diphenylphosphanium bromide.

Molecular Properties

Compound Name(2-butylphenyl)-diphenylphosphanium bromide
PubChem CID18702722
Molecular FormulaC22H24BrP
Molecular Weight399.31 g/mol
Exact Mass398.08
IUPAC Name(2-butylphenyl)-diphenylphosphanium bromide
SMILESCCCCc1ccccc1[PH+](c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C22H23P.BrH/c1-2-3-12-19-13-10-11-18-22(19)23(20-14-6-4-7-15-20)21-16-8-5-9-17-21;/h4-11,13-18H,2-3,12H2,1H3;1H
InChIKeySIDXFGMQLJSRTB-UHFFFAOYSA-N
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 51.52
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

heptadecane;triphenylphosphanium;bromide
CID 18781891
CID 159940559
CID 159940559
1-butyl-2-propan-2-ylsulfanylbenzene
CID 142056517
1,3-dibutyl-2-phenylbenzene
CID 15421912
1-butylnaphthalene;ethane
CID 142087052
hexakis(triphenylphosphanium);hexabromide
CID 160734106
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-diphenylphosphanium bromide?
The IUPAC name of (2-butylphenyl)-diphenylphosphanium bromide (CID 18702722) is (2-butylphenyl)-diphenylphosphanium bromide.
What is the SMILES notation for (2-butylphenyl)-diphenylphosphanium bromide?
The canonical SMILES for (2-butylphenyl)-diphenylphosphanium bromide is CCCCc1ccccc1[PH+](c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (2-butylphenyl)-diphenylphosphanium bromide?
The InChIKey is SIDXFGMQLJSRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P.BrH/c1-2-3-12-19-13-10-11-18-22(19)23(20-14-6-4-7-15-20)21-16-8-5-9-17-21;/h4-11,13-18H,2-3,12H2,1H3;1H.
What are the key properties of (2-butylphenyl)-diphenylphosphanium bromide?
(2-butylphenyl)-diphenylphosphanium bromide has a molecular weight of 399.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-diphenylphosphanium bromide is sourced from PubChem (CID 18702722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).