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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O2
Molecular Weight 208.2967
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Ethyl-3-phenyl-1,5-pentanediol

SMILES

CCC(CCO)(CCO)C1=CC=CC=C1

InChI

InChIKey=JDYDBAVDWRWTCJ-UHFFFAOYSA-N
InChI=1S/C13H20O2/c1-2-13(8-10-14,9-11-15)12-6-4-3-5-7-12/h3-7,14-15H,2,8-11H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Ethyl-3-phenylpentane-1,5-diol
Preferred Name English
3-Ethyl-3-phenyl-1,5-pentanediol
Systematic Name English
NSC-90454
Code English
1,5-Pentanediol, 3-ethyl-3-phenyl-
Systematic Name English
Code System Code Type Description
NSC
90454
Created by admin on Tue Apr 01 17:36:52 GMT 2025 , Edited by admin on Tue Apr 01 17:36:52 GMT 2025
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EPA CompTox
DTXSID00233674
Created by admin on Tue Apr 01 17:36:52 GMT 2025 , Edited by admin on Tue Apr 01 17:36:52 GMT 2025
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PUBCHEM
96853
Created by admin on Tue Apr 01 17:36:52 GMT 2025 , Edited by admin on Tue Apr 01 17:36:52 GMT 2025
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FDA UNII
E72DE9JY37
Created by admin on Tue Apr 01 17:36:52 GMT 2025 , Edited by admin on Tue Apr 01 17:36:52 GMT 2025
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CAS
84682-28-0
Created by admin on Tue Apr 01 17:36:52 GMT 2025 , Edited by admin on Tue Apr 01 17:36:52 GMT 2025
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ECHA (EC/EINECS)
283-590-4
Created by admin on Tue Apr 01 17:36:52 GMT 2025 , Edited by admin on Tue Apr 01 17:36:52 GMT 2025
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