2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride

C14H24ClNO3 — CID 162234618

IUPAC2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride
SMILESCC(=O)Cc1ccc(O)cc1.C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C9H10O2.C5H14NO.ClH/c1-7(10)6-8-2-4-9(11)5-3-8;1-6(2,3)4-5-7;/h2-5,11H,6H2,1H3;7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyQCHVPIMUFNOLFV-UHFFFAOYSA-M
MW289.80 g/mol
LogP-1.79
Rot. Bonds4

About 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride

2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride (PubChem CID 162234618) has the molecular formula C14H24ClNO3 and a molecular weight of 289.80 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride
PubChem CID162234618
Molecular FormulaC14H24ClNO3
Molecular Weight289.80 g/mol
Exact Mass289.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride
SMILESCC(=O)Cc1ccc(O)cc1.C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C9H10O2.C5H14NO.ClH/c1-7(10)6-8-2-4-9(11)5-3-8;1-6(2,3)4-5-7;/h2-5,11H,6H2,1H3;7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyQCHVPIMUFNOLFV-UHFFFAOYSA-M
XLogP-1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.80
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride 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

1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-amino-3-(4-hydroxyphenyl)propanoate;2-hydroxyethyl(trimethyl)azanium
CID 70307313
1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
CID 141057255
1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-one
CID 63199172
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
2-hydroxybenzoic acid;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174928429
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
benzene;1-phenylpropan-2-one
CID 21430852

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride (CID 162234618) is 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride is CC(=O)Cc1ccc(O)cc1.C[N+](C)(C)CCO.[Cl-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride?
The InChIKey is QCHVPIMUFNOLFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O2.C5H14NO.ClH/c1-7(10)6-8-2-4-9(11)5-3-8;1-6(2,3)4-5-7;/h2-5,11H,6H2,1H3;7H,4-5H2,1-3H3;1H/q;+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride?
2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride has a molecular weight of 289.80 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride is sourced from PubChem (CID 162234618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).