2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride

C20H20ClOP — CID 172741972

IUPAC2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
SMILESCl.OCCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19OP.ClH/c21-16-15-17-9-7-8-14-20(17)22(18-10-3-1-4-11-18)19-12-5-2-6-13-19;/h1-14,21H,15-16H2;1H
InChIKeyJFLFBLSHZAOSGG-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride

2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride (PubChem CID 172741972) has the molecular formula C20H20ClOP and a molecular weight of 342.81 g/mol. Its IUPAC name is 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
PubChem CID172741972
Molecular FormulaC20H20ClOP
Molecular Weight342.81 g/mol
Exact Mass342.09
IUPAC Name2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
SMILESCl.OCCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19OP.ClH/c21-16-15-17-9-7-8-14-20(17)22(18-10-3-1-4-11-18)19-12-5-2-6-13-19;/h1-14,21H,15-16H2;1H
InChIKeyJFLFBLSHZAOSGG-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.40
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-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
(2-diphenylphosphanylphenyl)methyl-hydroxy-oxophosphanium
CID 22447243
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
(2-butylphenyl)-diphenylphosphane;thiocyanic acid
CID 172735043

Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride (CID 172741972) is 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride is Cl.OCCc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride?
The InChIKey is JFLFBLSHZAOSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19OP.ClH/c21-16-15-17-9-7-8-14-20(17)22(18-10-3-1-4-11-18)19-12-5-2-6-13-19;/h1-14,21H,15-16H2;1H.
What are the key properties of 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride?
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride has a molecular weight of 342.81 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 172741972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).