14-hydroxytetradecyl(triphenyl)phosphanium bromide

C32H44BrOP — CID 155539647

IUPAC14-hydroxytetradecyl(triphenyl)phosphanium bromide
SMILESOCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C32H44OP.BrH/c33-28-20-9-7-5-3-1-2-4-6-8-10-21-29-34(30-22-14-11-15-23-30,31-24-16-12-17-25-31)32-26-18-13-19-27-32;/h11-19,22-27,33H,1-10,20-21,28-29H2;1H/q+1;/p-1
InChIKeyLRDAWZTVAMZYIY-UHFFFAOYSA-M
MW555.58 g/mol
LogP4.66
Rot. Bonds17

About 14-hydroxytetradecyl(triphenyl)phosphanium bromide

14-hydroxytetradecyl(triphenyl)phosphanium bromide (PubChem CID 155539647) has the molecular formula C32H44BrOP and a molecular weight of 555.58 g/mol. Its IUPAC name is 14-hydroxytetradecyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name14-hydroxytetradecyl(triphenyl)phosphanium bromide
PubChem CID155539647
Molecular FormulaC32H44BrOP
Molecular Weight555.58 g/mol
Exact Mass554.23
IUPAC Name14-hydroxytetradecyl(triphenyl)phosphanium bromide
SMILESOCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C32H44OP.BrH/c33-28-20-9-7-5-3-1-2-4-6-8-10-21-29-34(30-22-14-11-15-23-30,31-24-16-12-17-25-31)32-26-18-13-19-27-32;/h11-19,22-27,33H,1-10,20-21,28-29H2;1H/q+1;/p-1
InChIKeyLRDAWZTVAMZYIY-UHFFFAOYSA-M
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.58
LogP ≤ 54.66
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 14-hydroxytetradecyl(triphenyl)phosphanium bromide?
The IUPAC name of 14-hydroxytetradecyl(triphenyl)phosphanium bromide (CID 155539647) is 14-hydroxytetradecyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 14-hydroxytetradecyl(triphenyl)phosphanium bromide?
The canonical SMILES for 14-hydroxytetradecyl(triphenyl)phosphanium bromide is OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 14-hydroxytetradecyl(triphenyl)phosphanium bromide?
The InChIKey is LRDAWZTVAMZYIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H44OP.BrH/c33-28-20-9-7-5-3-1-2-4-6-8-10-21-29-34(30-22-14-11-15-23-30,31-24-16-12-17-25-31)32-26-18-13-19-27-32;/h11-19,22-27,33H,1-10,20-21,28-29H2;1H/q+1;/p-1.
What are the key properties of 14-hydroxytetradecyl(triphenyl)phosphanium bromide?
14-hydroxytetradecyl(triphenyl)phosphanium bromide has a molecular weight of 555.58 g/mol, XLogP of 4.66, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxytetradecyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 155539647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).