[2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride

C8H10Cl3NO — CID 19348

IUPAC[2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride
SMILES[Cl-].[NH3+]CC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3,8,12H,4,11H2;1H
InChIKeyMDSYSOQCKJDTTE-UHFFFAOYSA-N
MW242.53 g/mol
LogP-1.73
Rot. Bonds2

About [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride

[2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride (PubChem CID 19348) has the molecular formula C8H10Cl3NO and a molecular weight of 242.53 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride
PubChem CID19348
Molecular FormulaC8H10Cl3NO
Molecular Weight242.53 g/mol
Exact Mass240.98
IUPAC Name[2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride
SMILES[Cl-].[NH3+]CC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3,8,12H,4,11H2;1H
InChIKeyMDSYSOQCKJDTTE-UHFFFAOYSA-N
XLogP-1.73
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride (CID 19348) is [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride is [Cl-].[NH3+]CC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride?
The InChIKey is MDSYSOQCKJDTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3,8,12H,4,11H2;1H.
What are the key properties of [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride?
[2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride has a molecular weight of 242.53 g/mol, XLogP of -1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-hydroxyethyl]azanium chloride is sourced from PubChem (CID 19348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).