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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O4
Molecular Weight 272.2958
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-2-HYDROXY-3-METHOXY-3,3-DIPHENYLPROPANOIC ACID

SMILES

COC([C@H](O)C(O)=O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=RQJWOLFMWKZKCJ-CQSZACIVSA-N
InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16O4
Molecular Weight 272.2958
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:45:44 GMT 2025
Edited
by admin
on Wed Apr 02 10:45:44 GMT 2025
Record UNII
BYC8HKB4JS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-.BETA.-METHOXY-.BETA.-PHENYL-, (.ALPHA.S)-
Preferred Name English
(S)-2-HYDROXY-3-METHOXY-3,3-DIPHENYLPROPANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
178306-52-0
Created by admin on Wed Apr 02 10:45:44 GMT 2025 , Edited by admin on Wed Apr 02 10:45:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID20572219
Created by admin on Wed Apr 02 10:45:44 GMT 2025 , Edited by admin on Wed Apr 02 10:45:44 GMT 2025
PRIMARY
FDA UNII
BYC8HKB4JS
Created by admin on Wed Apr 02 10:45:44 GMT 2025 , Edited by admin on Wed Apr 02 10:45:44 GMT 2025
PRIMARY
PUBCHEM
15380898
Created by admin on Wed Apr 02 10:45:44 GMT 2025 , Edited by admin on Wed Apr 02 10:45:44 GMT 2025
PRIMARY