Chemical identity

Benzenepropanoic acid, alpha-hydroxy-beta-methoxy-beta-phenyl

CAS 178306-51-9 · C16H16O4

01Identity

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

Lazychem IDLC-05757
PubChem CID9881947
NameBenzenepropanoic acid, alpha-hydroxy-beta-methoxy-beta-phenyl
CAS RN178306-51-9
Molecular formulaC16H16O4
Molecular weight272.30 g/mol
IUPAC name2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
InChIKeyRQJWOLFMWKZKCJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 9881947
Two-dimensional chemical structure of Benzenepropanoic acid, alpha-hydroxy-beta-methoxy-beta-phenyl, CAS 178306-51-9
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
SMILESCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)O
InChINot listed
Formula from structureC16H16O4
Molecular weight from structure272.30 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

3 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 FOUNDCAS 178306-51-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 178306-51-9 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

Ambrisentan

View API and impurity family

Other names

  • Ambrisentan Impurity 9
  • Benzenepropanoic acid, alpha-hydroxy-beta-methoxy-beta-phenyl-
  • Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-
  • α-Hydroxy-β-methoxy-β-phenylbenzenepropanoic acid
  • 2-Hydroxy-3-methoxy-3,3-diphenylpropanoic acid
  • 2-Hydroxy-3-methoxy-3,3-diphenylpropionic acid
  • 4GB74Y4JTK
  • DTXSID40432321
  • RefChem:473132
  • DTXCID70383150
  • 605-820-8
  • 178306-51-9

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