[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium

C27H25BrOP+ — CID 102140054

IUPAC[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium
SMILESC[C@@H]([C@H](O)c1ccccc1Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25BrOP/c1-21(27(29)25-19-11-12-20-26(25)28)30(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-21,27,29H,1H3/q+1/t21-,27-/m0/s1
InChIKeyIHOJYYASJILUIV-IDISGSTGSA-N
MW476.37 g/mol
LogP5.87
Rot. Bonds6

About [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium

[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium (PubChem CID 102140054) has the molecular formula C27H25BrOP+ and a molecular weight of 476.37 g/mol. Its IUPAC name is [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium
PubChem CID102140054
Molecular FormulaC27H25BrOP+
Molecular Weight476.37 g/mol
Exact Mass475.08
IUPAC Name[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium
SMILESC[C@@H]([C@H](O)c1ccccc1Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H25BrOP/c1-21(27(29)25-19-11-12-20-26(25)28)30(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-21,27,29H,1H3/q+1/t21-,27-/m0/s1
InChIKeyIHOJYYASJILUIV-IDISGSTGSA-N
XLogP5.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.37
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1R,2S)-2-amino-1-(2-bromophenyl)-3-methylbutan-1-ol
CID 95465505
2-[(2-bromophenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62398436
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
1-(2-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-1-ol
CID 162347557
2-[(2-bromophenyl)-hydroxymethyl]pentanoic acid
CID 83043357

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium?
The IUPAC name of [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium (CID 102140054) is [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium.
What is the SMILES notation for [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium?
The canonical SMILES for [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium is C[C@@H]([C@H](O)c1ccccc1Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium?
The InChIKey is IHOJYYASJILUIV-IDISGSTGSA-N. The full InChI is InChI=1S/C27H25BrOP/c1-21(27(29)25-19-11-12-20-26(25)28)30(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-21,27,29H,1H3/q+1/t21-,27-/m0/s1.
What are the key properties of [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium?
[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium has a molecular weight of 476.37 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium is sourced from PubChem (CID 102140054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).