Chemical identity

Methyl 5-(4-fluorophenyl)-5-hydroxypentanoate

CAS 1368310-60-4 · C12H15FO3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-14944
PubChem CID68871171
NameMethyl 5-(4-fluorophenyl)-5-hydroxypentanoate
CAS RN1368310-60-4
Molecular formulaC12H15FO3
Molecular weight226.25 g/mol
IUPAC namemethyl 5-(4-fluorophenyl)-5-hydroxypentanoate
InChIKeyUNLBEUJPMNQIRT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 68871171
2D structure: Methyl 5-(4-fluorophenyl)-5-hydroxypentanoate, CAS 1368310-60-4
Structure of Methyl 5-(4-fluorophenyl)-5-hydroxypentanoate (CAS 1368310-60-4). LazyChem record. Source identity: PubChem CID 68871171. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC12H15FO3
InChIKeyUNLBEUJPMNQIRT-UHFFFAOYSA-N
Ring count1
Defined stereocentres0
Unassigned stereocentres1
SMILESCOC(=O)CCCC(C1=CC=C(C=C1)F)O
InChIInChI=1S/C12H15FO3/c1-16-12(15)4-2-3-11(14)9-5-7-10(13)8-6-9/h5-8,11,14H,2-4H2,1H3

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1368310-60-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1368310-60-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ezetimibe

View API and impurity family

Other names

  • Ezetimibe Impurity 55
  • Methyl 4-fluoro-delta-hydroxybenzenepentanoate
  • DB-188047

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources