[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride

C8H10ClNO2 — CID 90358317

IUPAC[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride
SMILES[Cl-].[NH3+]CC(=O)c1cccc(O)c1
InChIInChI=1S/C8H9NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,10H,5,9H2;1H
InChIKeyKNXFQMJCHAKLKF-UHFFFAOYSA-N
MW187.63 g/mol
LogP-3.18
Rot. Bonds2

About [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride

[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride (PubChem CID 90358317) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride.

Molecular Properties

Compound Name[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride
PubChem CID90358317
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride
SMILES[Cl-].[NH3+]CC(=O)c1cccc(O)c1
InChIInChI=1S/C8H9NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,10H,5,9H2;1H
InChIKeyKNXFQMJCHAKLKF-UHFFFAOYSA-N
XLogP-3.18
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 5-3.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-ethyl-3-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride?
The IUPAC name of [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride (CID 90358317) is [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride.
What is the SMILES notation for [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride?
The canonical SMILES for [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride is [Cl-].[NH3+]CC(=O)c1cccc(O)c1.
What is the InChIKey of [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride?
The InChIKey is KNXFQMJCHAKLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,10H,5,9H2;1H.
What are the key properties of [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride?
[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride has a molecular weight of 187.63 g/mol, XLogP of -3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride is sourced from PubChem (CID 90358317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).