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Details

Stereochemistry RACEMIC
Molecular Formula C9H11ClO
Molecular Weight 170.636
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-1-phenylpropanol, (±)-

SMILES

OC(CCCl)C1=CC=CC=C1

InChI

InChIKey=JZFUHAGLMZWKTF-UHFFFAOYSA-N
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2

HIDE SMILES / InChI

Molecular Formula C9H11ClO
Molecular Weight 170.636
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:29:06 GMT 2025
Edited
by admin
on Wed Apr 02 20:29:06 GMT 2025
Record UNII
PCY5CUD42T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-3-Chloro-1-phenyl-1-propanol
Preferred Name English
3-Chloro-1-phenylpropanol, (±)-
Systematic Name English
?-(2-Chloroethyl)benzenemethanol
Systematic Name English
3-Chloro-1-phenylpropanol
Systematic Name English
?-(2-Chloroethyl)benzyl alcohol
Systematic Name English
Benzenemethanol, ?-(2-chloroethyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80341286
Created by admin on Wed Apr 02 20:29:06 GMT 2025 , Edited by admin on Wed Apr 02 20:29:06 GMT 2025
PRIMARY
CAS
18776-12-0
Created by admin on Wed Apr 02 20:29:06 GMT 2025 , Edited by admin on Wed Apr 02 20:29:06 GMT 2025
PRIMARY
FDA UNII
PCY5CUD42T
Created by admin on Wed Apr 02 20:29:06 GMT 2025 , Edited by admin on Wed Apr 02 20:29:06 GMT 2025
PRIMARY
PUBCHEM
572064
Created by admin on Wed Apr 02 20:29:06 GMT 2025 , Edited by admin on Wed Apr 02 20:29:06 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE