10-hydroxydecyl(triphenyl)phosphanium bromide

C28H36BrOP — CID 11991378

IUPAC10-hydroxydecyl(triphenyl)phosphanium bromide
SMILESOCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C28H36OP.BrH/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23,29H,1-6,16-17,24-25H2;1H/q+1;/p-1
InChIKeyBJVDVGYADREGEB-UHFFFAOYSA-M
MW499.47 g/mol
LogP3.10
Rot. Bonds13

About 10-hydroxydecyl(triphenyl)phosphanium bromide

10-hydroxydecyl(triphenyl)phosphanium bromide (PubChem CID 11991378) has the molecular formula C28H36BrOP and a molecular weight of 499.47 g/mol. Its IUPAC name is 10-hydroxydecyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name10-hydroxydecyl(triphenyl)phosphanium bromide
PubChem CID11991378
Molecular FormulaC28H36BrOP
Molecular Weight499.47 g/mol
Exact Mass498.17
IUPAC Name10-hydroxydecyl(triphenyl)phosphanium bromide
SMILESOCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C28H36OP.BrH/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23,29H,1-6,16-17,24-25H2;1H/q+1;/p-1
InChIKeyBJVDVGYADREGEB-UHFFFAOYSA-M
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 53.10
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'}

Analyze 10-hydroxydecyl(triphenyl)phosphanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydecyl(triphenyl)phosphanium bromide?
The IUPAC name of 10-hydroxydecyl(triphenyl)phosphanium bromide (CID 11991378) is 10-hydroxydecyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 10-hydroxydecyl(triphenyl)phosphanium bromide?
The canonical SMILES for 10-hydroxydecyl(triphenyl)phosphanium bromide is OCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 10-hydroxydecyl(triphenyl)phosphanium bromide?
The InChIKey is BJVDVGYADREGEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H36OP.BrH/c29-24-16-5-3-1-2-4-6-17-25-30(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23,29H,1-6,16-17,24-25H2;1H/q+1;/p-1.
What are the key properties of 10-hydroxydecyl(triphenyl)phosphanium bromide?
10-hydroxydecyl(triphenyl)phosphanium bromide has a molecular weight of 499.47 g/mol, XLogP of 3.10, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydecyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 11991378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).