6-hydroxyhexyl(triphenyl)phosphanium bromide

C24H28BrOP — CID 2784664

IUPAC6-hydroxyhexyl(triphenyl)phosphanium bromide
SMILESOCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H28OP.BrH/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19,25H,1-2,12-13,20-21H2;1H/q+1;/p-1
InChIKeyZWTJFZNHSTYUCD-UHFFFAOYSA-M
MW443.37 g/mol
LogP1.54
Rot. Bonds9

About 6-hydroxyhexyl(triphenyl)phosphanium bromide

6-hydroxyhexyl(triphenyl)phosphanium bromide (PubChem CID 2784664) has the molecular formula C24H28BrOP and a molecular weight of 443.37 g/mol. Its IUPAC name is 6-hydroxyhexyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name6-hydroxyhexyl(triphenyl)phosphanium bromide
PubChem CID2784664
Molecular FormulaC24H28BrOP
Molecular Weight443.37 g/mol
Exact Mass442.11
IUPAC Name6-hydroxyhexyl(triphenyl)phosphanium bromide
SMILESOCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H28OP.BrH/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19,25H,1-2,12-13,20-21H2;1H/q+1;/p-1
InChIKeyZWTJFZNHSTYUCD-UHFFFAOYSA-M
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxyhexyl(triphenyl)phosphanium bromide?
The IUPAC name of 6-hydroxyhexyl(triphenyl)phosphanium bromide (CID 2784664) is 6-hydroxyhexyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 6-hydroxyhexyl(triphenyl)phosphanium bromide?
The canonical SMILES for 6-hydroxyhexyl(triphenyl)phosphanium bromide is OCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 6-hydroxyhexyl(triphenyl)phosphanium bromide?
The InChIKey is ZWTJFZNHSTYUCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H28OP.BrH/c25-20-12-1-2-13-21-26(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19,25H,1-2,12-13,20-21H2;1H/q+1;/p-1.
What are the key properties of 6-hydroxyhexyl(triphenyl)phosphanium bromide?
6-hydroxyhexyl(triphenyl)phosphanium bromide has a molecular weight of 443.37 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyhexyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2784664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).