2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate

C12H17NO3 — CID 139785604

IUPAC2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate
SMILESCN(C)c1ccc(CC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO3/c1-13(2)11-5-3-10(4-6-11)9-12(15)16-8-7-14/h3-6,14H,7-9H2,1-2H3
InChIKeyUOBLNRCPPKAFPH-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.83
Rot. Bonds5

About 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate

2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate (PubChem CID 139785604) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate
PubChem CID139785604
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate
SMILESCN(C)c1ccc(CC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO3/c1-13(2)11-5-3-10(4-6-11)9-12(15)16-8-7-14/h3-6,14H,7-9H2,1-2H3
InChIKeyUOBLNRCPPKAFPH-UHFFFAOYSA-N
XLogP0.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate 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

8-(4-benzoylphenoxy)octyl 2-[4-(dimethylamino)phenyl]acetate
CID 11496808
3-[[4-(dimethylamino)phenyl]methylamino]propyl propanoate
CID 82533390
2-[4-[4-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226143
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
CID 158542822
2-[4-(dimethylamino)phenyl]ethyl dodecanoate
CID 54169047
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
CID 90146756
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate?
The IUPAC name of 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate (CID 139785604) is 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate.
What is the SMILES notation for 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate?
The canonical SMILES for 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate is CN(C)c1ccc(CC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate?
The InChIKey is UOBLNRCPPKAFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(2)11-5-3-10(4-6-11)9-12(15)16-8-7-14/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate?
2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate has a molecular weight of 223.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate is sourced from PubChem (CID 139785604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).