Chemical identity

2-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenyl]propanoic acid

CAS not listed · C16H22O3

01Identity

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

Lazychem IDLC-47447
PubChem CID10244457
Name2-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenyl]propanoic acid
CAS RNNot listed
Molecular formulaC16H22O3
Molecular weight262.34 g/mol
IUPAC name2-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenyl]propanoic acid
InChIKeyMCDKWYZDOMTURB-JBAPVGOWSA-N

02Structure identifiers

2D structurePubChem CID 10244457
Two-dimensional chemical structure of 2-[4-[[(1R,2S)-2-hydroxycyclohexyl]methyl]phenyl]propanoic acid
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, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C1=CC=C(C=C1)C[C@H]2CCCC[C@@H]2O)C(=O)O
InChINot listed
Formula from structureC16H22O3
Molecular weight from structure262.34 g/mol

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 / RCSNO EXACT MATCH FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

  • Pelubiprofen Impurity 3 Enantiomer

Related records from the same parent family

No related records are linked by parent name.

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