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Details

Stereochemistry RACEMIC
Molecular Formula C24H23ClO2
Molecular Weight 378.891
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenylpentan-1-one, (2R,3S)-rel-

SMILES

CC(C)[C@@H]([C@@H](C(=O)C1=CC=C(O)C=C1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=XHNMDSMHESXHLQ-PKTZIBPZSA-N
InChI=1S/C24H23ClO2/c1-16(2)22(18-8-12-20(25)13-9-18)23(17-6-4-3-5-7-17)24(27)19-10-14-21(26)15-11-19/h3-16,22-23,26H,1-2H3/t22-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H23ClO2
Molecular Weight 378.891
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:28:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:28:41 GMT 2023
Record UNII
539LKG3S96
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenylpentan-1-one, (2R,3S)-rel-
Systematic Name English
VALEROPHENONE, 3-(P-CHLOROPHENYL)-4'-HYDROXY-4-METHYL-2-PHENYL-, ERYTHRO-
Common Name English
1-Pentanone, 3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenyl-, (R*,S*)-
Systematic Name English
rel-(2R,3S)-3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-4-methyl-2-phenylpentan-1-one
Systematic Name English
Code System Code Type Description
PUBCHEM
208002
Created by admin on Sat Dec 16 09:28:41 GMT 2023 , Edited by admin on Sat Dec 16 09:28:41 GMT 2023
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FDA UNII
539LKG3S96
Created by admin on Sat Dec 16 09:28:41 GMT 2023 , Edited by admin on Sat Dec 16 09:28:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID70185292
Created by admin on Sat Dec 16 09:28:41 GMT 2023 , Edited by admin on Sat Dec 16 09:28:41 GMT 2023
PRIMARY
CAS
31365-02-3
Created by admin on Sat Dec 16 09:28:41 GMT 2023 , Edited by admin on Sat Dec 16 09:28:41 GMT 2023
PRIMARY