(2-hydroxy-2-phenylethyl)azanium chloride

C8H12ClNO — CID 20694

IUPAC(2-hydroxy-2-phenylethyl)azanium chloride
SMILES[Cl-].[NH3+]CC(O)c1ccccc1
InChIInChI=1S/C8H11NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5,8,10H,6,9H2;1H
InChIKeyGMYDEDCMIQAOCT-UHFFFAOYSA-N
MW173.64 g/mol
LogP-3.03
Rot. Bonds2

About (2-hydroxy-2-phenylethyl)azanium chloride

(2-hydroxy-2-phenylethyl)azanium chloride (PubChem CID 20694) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is (2-hydroxy-2-phenylethyl)azanium chloride.

Molecular Properties

Compound Name(2-hydroxy-2-phenylethyl)azanium chloride
PubChem CID20694
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name(2-hydroxy-2-phenylethyl)azanium chloride
SMILES[Cl-].[NH3+]CC(O)c1ccccc1
InChIInChI=1S/C8H11NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5,8,10H,6,9H2;1H
InChIKeyGMYDEDCMIQAOCT-UHFFFAOYSA-N
XLogP-3.03
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 5-3.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylethyl)azanium chloride?
The IUPAC name of (2-hydroxy-2-phenylethyl)azanium chloride (CID 20694) is (2-hydroxy-2-phenylethyl)azanium chloride.
What is the SMILES notation for (2-hydroxy-2-phenylethyl)azanium chloride?
The canonical SMILES for (2-hydroxy-2-phenylethyl)azanium chloride is [Cl-].[NH3+]CC(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylethyl)azanium chloride?
The InChIKey is GMYDEDCMIQAOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5,8,10H,6,9H2;1H.
What are the key properties of (2-hydroxy-2-phenylethyl)azanium chloride?
(2-hydroxy-2-phenylethyl)azanium chloride has a molecular weight of 173.64 g/mol, XLogP of -3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylethyl)azanium chloride is sourced from PubChem (CID 20694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).