Chemical identity

Phenylcyclohexylglycolic Acid Ethyl Ester

CAS 31197-69-0 · C16H22O3

01Identity

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

Lazychem IDLC-25120
PubChem CID4156543
NamePhenylcyclohexylglycolic Acid Ethyl Ester
CAS RN31197-69-0
Molecular formulaC16H22O3
Molecular weight262.35 g/mol
IUPAC nameethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
InChIKeyOKSWMMZQZJBIKC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 4156543
Two-dimensional chemical structure of Phenylcyclohexylglycolic Acid Ethyl Ester, CAS 31197-69-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
InChINot listed
Formula from structureC16H22O3
Molecular weight from structure262.35 g/mol

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 / RCSNO EXACT MATCH FOUNDCAS 31197-69-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 31197-69-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Oxybutynin

View API and impurity family

Other names

  • Ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
  • 31197-69-0
  • SCHEMBL290176
  • DTXSID50400036
  • OKSWMMZQZJBIKC-UHFFFAOYSA-N
  • Ethyl cyclohexyl(hydroxy)(phenyl)acetate

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