(2-hydroxy-1,2-diphenylethyl)azanium chloride

C14H16ClNO — CID 22242

IUPAC(2-hydroxy-1,2-diphenylethyl)azanium chloride
SMILES[Cl-].[NH3+]C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H15NO.ClH/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10,13-14,16H,15H2;1H
InChIKeyDWMRKFHDHZDONL-UHFFFAOYSA-N
MW249.74 g/mol
LogP-1.29
Rot. Bonds3

About (2-hydroxy-1,2-diphenylethyl)azanium chloride

(2-hydroxy-1,2-diphenylethyl)azanium chloride (PubChem CID 22242) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (2-hydroxy-1,2-diphenylethyl)azanium chloride.

Molecular Properties

Compound Name(2-hydroxy-1,2-diphenylethyl)azanium chloride
PubChem CID22242
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(2-hydroxy-1,2-diphenylethyl)azanium chloride
SMILES[Cl-].[NH3+]C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H15NO.ClH/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10,13-14,16H,15H2;1H
InChIKeyDWMRKFHDHZDONL-UHFFFAOYSA-N
XLogP-1.29
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,2-diphenylethyl)azanium chloride?
The IUPAC name of (2-hydroxy-1,2-diphenylethyl)azanium chloride (CID 22242) is (2-hydroxy-1,2-diphenylethyl)azanium chloride.
What is the SMILES notation for (2-hydroxy-1,2-diphenylethyl)azanium chloride?
The canonical SMILES for (2-hydroxy-1,2-diphenylethyl)azanium chloride is [Cl-].[NH3+]C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-1,2-diphenylethyl)azanium chloride?
The InChIKey is DWMRKFHDHZDONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.ClH/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10,13-14,16H,15H2;1H.
What are the key properties of (2-hydroxy-1,2-diphenylethyl)azanium chloride?
(2-hydroxy-1,2-diphenylethyl)azanium chloride has a molecular weight of 249.74 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1,2-diphenylethyl)azanium chloride is sourced from PubChem (CID 22242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).