benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide

C28H28BrOP — CID 18000285

IUPACbenzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
SMILESCC(O)Cc1ccc([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C28H28OP.BrH/c1-23(29)21-24-17-19-28(20-18-24)30(26-13-7-3-8-14-26,27-15-9-4-10-16-27)22-25-11-5-2-6-12-25;/h2-20,23,29H,21-22H2,1H3;1H/q+1;/p-1
InChIKeyHMMYGOUJIAWFCG-UHFFFAOYSA-M
MW491.41 g/mol
LogP2.11
Rot. Bonds7

About benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide

benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide (PubChem CID 18000285) has the molecular formula C28H28BrOP and a molecular weight of 491.41 g/mol. Its IUPAC name is benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide.

Molecular Properties

Compound Namebenzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
PubChem CID18000285
Molecular FormulaC28H28BrOP
Molecular Weight491.41 g/mol
Exact Mass490.11
IUPAC Namebenzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
SMILESCC(O)Cc1ccc([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C28H28OP.BrH/c1-23(29)21-24-17-19-28(20-18-24)30(26-13-7-3-8-14-26,27-15-9-4-10-16-27)22-25-11-5-2-6-12-25;/h2-20,23,29H,21-22H2,1H3;1H/q+1;/p-1
InChIKeyHMMYGOUJIAWFCG-UHFFFAOYSA-M
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;1-phenylpropan-2-ol
CID 175039142
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
oxalic acid;1-phenylpropan-2-ol
CID 162336088
(4-methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium dibromide
CID 45104023
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
[4-[di(propan-2-yl)carbamoyl]phenyl]methyl-triphenylphosphanium bromide
CID 10393031
benzyl(triphenyl)phosphanium phenoxide
CID 18469640
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570

Frequently Asked Questions

What is the IUPAC name of benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide?
The IUPAC name of benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide (CID 18000285) is benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide.
What is the SMILES notation for benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide?
The canonical SMILES for benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide is CC(O)Cc1ccc([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-].
What is the InChIKey of benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide?
The InChIKey is HMMYGOUJIAWFCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H28OP.BrH/c1-23(29)21-24-17-19-28(20-18-24)30(26-13-7-3-8-14-26,27-15-9-4-10-16-27)22-25-11-5-2-6-12-25;/h2-20,23,29H,21-22H2,1H3;1H/q+1;/p-1.
What are the key properties of benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide?
benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide has a molecular weight of 491.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide is sourced from PubChem (CID 18000285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).