3-(4-Methoxyphenyl)-2-phenylpropionic acid

HCID 97739

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Basic information

CAS: 4314-68-5
Standard SMILES: COc1ccc(CC(C(=O)O)c2ccccc2)cc1
InChIKey: GIROORGDVPRQFZ-UHFFFAOYSA-N
Molecular formula: C16H16O3
Average molar mass: 256.3 g/mol
Monoisotopic mass: 256.10994437

Names & identifiers

Preferred name: 3-(4-Methoxyphenyl)-2-phenylpropionic acid
IUPAC: 3-(4-methoxyphenyl)-2-phenylpropanoic acid
English name: 3-(4-Methoxy-phenyl)-2-phenyl-propionic acid
Molecular formula: C16H16O3
Molecular weight: 256.3

Names & synonyms

3-(4-Methoxyphenyl)-2-phenylpropionic acidEINECS 224-332-2NSC 33136RefChem:493233224-332-24314-68-53-(4-methoxyphenyl)-2-phenylpropanoic acid3-(4-Methoxy-phenyl)-2-phenyl-propionic acidMFCD00046532CHEMBL839493-(4-Methoxyphenyl)-2-phenyl-propanoic acidNSC33136

Show more names

P-METHOXY-A-PHENYLHYDROCINNAMIC ACID4-Methoxy-α-phenylbenzenepropanoic acid3-(P-METHOXYPHENYL)-2-PHENYLPROPIONIC ACIDBenzenepropanoic acid, 4-Methoxy-α-phenyl-

F9995-0092SCHEMBL1716396DTXSID901278934HMS1683O03ALBB-000211BDBM50145806NSC-33136SBB046326

Database identifiers

CAS: 4314-68-5
PubChem CID: 97739
DTXSID: DTXSID901278934
ChEMBL: CHEMBL83949
EC Number: 224-332-2
Nikkaji: J205.698D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 276

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.