1-hydroxyethyl(triphenyl)phosphanium chloride

C20H20ClOP — CID 22164733

IUPAC1-hydroxyethyl(triphenyl)phosphanium chloride
SMILESCC(O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c1-17(21)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17,21H,1H3;1H/q+1;/p-1
InChIKeyJOXGHXZIXLQDHS-UHFFFAOYSA-M
MW342.81 g/mol
LogP0.32
Rot. Bonds4

About 1-hydroxyethyl(triphenyl)phosphanium chloride

1-hydroxyethyl(triphenyl)phosphanium chloride (PubChem CID 22164733) has the molecular formula C20H20ClOP and a molecular weight of 342.81 g/mol. Its IUPAC name is 1-hydroxyethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name1-hydroxyethyl(triphenyl)phosphanium chloride
PubChem CID22164733
Molecular FormulaC20H20ClOP
Molecular Weight342.81 g/mol
Exact Mass342.09
IUPAC Name1-hydroxyethyl(triphenyl)phosphanium chloride
SMILESCC(O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c1-17(21)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17,21H,1H3;1H/q+1;/p-1
InChIKeyJOXGHXZIXLQDHS-UHFFFAOYSA-M
XLogP0.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 50.32
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

hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium
CID 139198951
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
[(1R,2S)-1-(2-bromophenyl)-1-hydroxypropan-2-yl]-triphenylphosphanium
CID 102140054
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209
dimethyl(diphenyl)phosphanium perchlorate
CID 71333893
diphenyl-propan-2-yl-pyridin-3-ylphosphanium
CID 153484681
bis(dihydroxy(diphenyl)phosphanium);2-methyl-1-phenylbutane-1,3-diol
CID 175697652
[(Z)-pent-3-en-2-yl]-triphenylphosphanium
CID 13156142
pent-3-en-2-yl(triphenyl)phosphanium
CID 73166732

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl(triphenyl)phosphanium chloride?
The IUPAC name of 1-hydroxyethyl(triphenyl)phosphanium chloride (CID 22164733) is 1-hydroxyethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 1-hydroxyethyl(triphenyl)phosphanium chloride?
The canonical SMILES for 1-hydroxyethyl(triphenyl)phosphanium chloride is CC(O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 1-hydroxyethyl(triphenyl)phosphanium chloride?
The InChIKey is JOXGHXZIXLQDHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20OP.ClH/c1-17(21)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-17,21H,1H3;1H/q+1;/p-1.
What are the key properties of 1-hydroxyethyl(triphenyl)phosphanium chloride?
1-hydroxyethyl(triphenyl)phosphanium chloride has a molecular weight of 342.81 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 22164733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).