2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium

C11H16NO2+ — CID 2049068

IUPAC2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium
SMILESO=C(CC[NH2+]CCO)c1ccccc1
InChIInChI=1S/C11H15NO2/c13-9-8-12-7-6-11(14)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2/p+1
InChIKeyWOKDIEGSCRUAHU-UHFFFAOYSA-O
MW194.25 g/mol
LogP-0.18
Rot. Bonds6

About 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium

2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium (PubChem CID 2049068) has the molecular formula C11H16NO2+ and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium
PubChem CID2049068
Molecular FormulaC11H16NO2+
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium
SMILESO=C(CC[NH2+]CCO)c1ccccc1
InChIInChI=1S/C11H15NO2/c13-9-8-12-7-6-11(14)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2/p+1
InChIKeyWOKDIEGSCRUAHU-UHFFFAOYSA-O
XLogP-0.18
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
1,15-diphenylpentadecane-1,15-dione
CID 159981687
benzene;2-hydroxy-1-phenylethanone
CID 174663024
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
1-phenylbutan-1-one
CID 10315
azane;2-hydroxy-1-phenylethanone
CID 161228887
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
1-phenylbutan-1-one;hydrobromide
CID 139638507
3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one
CID 168820225
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium?
The IUPAC name of 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium (CID 2049068) is 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium?
The canonical SMILES for 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium is O=C(CC[NH2+]CCO)c1ccccc1.
What is the InChIKey of 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium?
The InChIKey is WOKDIEGSCRUAHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15NO2/c13-9-8-12-7-6-11(14)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2/p+1.
What are the key properties of 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium?
2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium has a molecular weight of 194.25 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-(3-oxo-3-phenylpropyl)azanium is sourced from PubChem (CID 2049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).