[(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium

C26H24OP+ — CID 98159698

IUPAC[(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium
SMILESOC[C@@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24OP/c27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2/q+1/t26-/m0/s1
InChIKeyVVUJXDRCPVPNOE-SANMLTNESA-N
MW383.45 g/mol
LogP4.71
Rot. Bonds6

About [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium

[(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium (PubChem CID 98159698) has the molecular formula C26H24OP+ and a molecular weight of 383.45 g/mol. Its IUPAC name is [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium
PubChem CID98159698
Molecular FormulaC26H24OP+
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name[(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium
SMILESOC[C@@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24OP/c27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2/q+1/t26-/m0/s1
InChIKeyVVUJXDRCPVPNOE-SANMLTNESA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.71
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

(2-carboxy-1-phenylethyl)-triphenylphosphanium bromide
CID 45048009
3-phenyl-3-triphenylphosphaniumylpropanoate
CID 11189067
(3-bromo-1-phenylpropyl)-triphenylphosphanium bromide
CID 57375855
(3-ethoxy-3-oxo-1-phenylpropyl)-triphenylphosphanium
CID 3492868
triphenyl(1-phenylnonyl)phosphanium bromide
CID 90019945
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
bis(hydroxymethyl)-diphenylphosphanium chloride
CID 2784100
2-(benzhydrylamino)propan-1-ol
CID 43499566
[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium
CID 87069841
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
[amino(phenyl)methyl]-triphenylphosphanium
CID 174402804
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium?
The IUPAC name of [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium (CID 98159698) is [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium.
What is the SMILES notation for [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium?
The canonical SMILES for [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium is OC[C@@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium?
The InChIKey is VVUJXDRCPVPNOE-SANMLTNESA-N. The full InChI is InChI=1S/C26H24OP/c27-21-26(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2/q+1/t26-/m0/s1.
What are the key properties of [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium?
[(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium has a molecular weight of 383.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-hydroxy-1-phenylethyl]-triphenylphosphanium is sourced from PubChem (CID 98159698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).