U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-(2-hydroxyethyl)benzoate

SMILES

COC(=O)C1=CC(CCO)=CC=C1

InChI

InChIKey=RJEWIMDQAGWVGW-UHFFFAOYSA-N
InChI=1S/C10H12O3/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7,11H,5-6H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-(3-methoxycarbonylphenyl)ethanol
Preferred Name English
Methyl 3-(2-hydroxyethyl)benzoate
Systematic Name English
Benzoic acid, 3-(2-hydroxyethyl)-, methyl ester
Systematic Name English
3-(2-Hydroxyethyl)benzoic acid methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
10535371
Created by admin on Wed Apr 02 19:21:37 GMT 2025 , Edited by admin on Wed Apr 02 19:21:37 GMT 2025
PRIMARY
CAS
153599-45-2
Created by admin on Wed Apr 02 19:21:37 GMT 2025 , Edited by admin on Wed Apr 02 19:21:37 GMT 2025
PRIMARY
FDA UNII
B4K6RS77JL
Created by admin on Wed Apr 02 19:21:37 GMT 2025 , Edited by admin on Wed Apr 02 19:21:37 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966