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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20O4
Molecular Weight 300.349
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLPROPYL HOMOVANILLATE

SMILES

COC1=C(O)C=CC(CC(=O)OCCCC2=CC=CC=C2)=C1

InChI

InChIKey=XCAJPVHAKFDCQH-UHFFFAOYSA-N
InChI=1S/C18H20O4/c1-21-17-12-15(9-10-16(17)19)13-18(20)22-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,19H,5,8,11,13H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H20O4
Molecular Weight 300.349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:51:06 GMT 2023
Edited
by admin
on Sat Dec 16 14:51:06 GMT 2023
Record UNII
93W2826WBX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYLPROPYL HOMOVANILLATE
Systematic Name English
FEMA NO. 4826
Code English
BENZENEACETIC ACID, 4-HYDROXY-3-METHOXY-, 3-PHENYLPROPYL ESTER
Systematic Name English
3-PHENYLPROPYL 2-(4-HYDROXY-3-METHOXYPHENYL)ACETATE
Systematic Name English
Code System Code Type Description
CAS
105025-99-8
Created by admin on Sat Dec 16 14:51:06 GMT 2023 , Edited by admin on Sat Dec 16 14:51:06 GMT 2023
PRIMARY
PUBCHEM
118456505
Created by admin on Sat Dec 16 14:51:06 GMT 2023 , Edited by admin on Sat Dec 16 14:51:06 GMT 2023
PRIMARY
FDA UNII
93W2826WBX
Created by admin on Sat Dec 16 14:51:06 GMT 2023 , Edited by admin on Sat Dec 16 14:51:06 GMT 2023
PRIMARY