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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24O2
Molecular Weight 284.3927
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXESTROL MONOMETHYL ETHER

SMILES

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

InChI

InChIKey=ITRDPYNINWIWLM-RBUKOAKNSA-N
InChI=1S/C19H24O2/c1-4-18(14-6-10-16(20)11-7-14)19(5-2)15-8-12-17(21-3)13-9-15/h6-13,18-20H,4-5H2,1-3H3/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H24O2
Molecular Weight 284.3927
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006-11
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:35:47 GMT 2025
Edited
by admin
on Mon Mar 31 21:35:47 GMT 2025
Record UNII
B1LXH6RPPM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-19200
Preferred Name English
HEXESTROL MONOMETHYL ETHER
Common Name English
PHENOL, 4-((1R,2S)-1-ETHYL-2-(4-METHOXYPHENYL)BUTYL)-, REL-
Common Name English
PHENOL, 4-(1-ETHYL-2-(4-METHOXYPHENYL)BUTYL)-, (R*,S*)-
Common Name English
Code System Code Type Description
FDA UNII
B1LXH6RPPM
Created by admin on Mon Mar 31 21:35:47 GMT 2025 , Edited by admin on Mon Mar 31 21:35:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID9022497
Created by admin on Mon Mar 31 21:35:47 GMT 2025 , Edited by admin on Mon Mar 31 21:35:47 GMT 2025
PRIMARY
NSC
19200
Created by admin on Mon Mar 31 21:35:47 GMT 2025 , Edited by admin on Mon Mar 31 21:35:47 GMT 2025
PRIMARY
CAS
13026-26-1
Created by admin on Mon Mar 31 21:35:47 GMT 2025 , Edited by admin on Mon Mar 31 21:35:47 GMT 2025
PRIMARY
PUBCHEM
21629892
Created by admin on Mon Mar 31 21:35:47 GMT 2025 , Edited by admin on Mon Mar 31 21:35:47 GMT 2025
PRIMARY