Vitas-M small molecule compound

3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one

Catalog ID
STK133113
SMILES COc1ccc(cc1)C1CC(=CC(=O)C1)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C13H14O3 MW 218.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,8,10,14H,6-7H2,1H3
InChIKey
VMWQNDYIARTQTB-UHFFFAOYSA-N
Synonyms
111945-85-8
111945858
3HYDROXY5(4METHOXYPHENYL)CYCLOHEX2EN1ONE
3HYDROXY5(4METHOXYPHENYL)CYCLOHEX2ENONE
5HYDROXY4METHOXY16DIHYDRO(11BIPHENYL)3(2H)ONE
COC1=CC=C(C=C1)C2CC(=CC(=O)C2)O
InChI=1SC13H14O3c11613429(3513)10611(14)812(15)710h2581014H67H21H3
MFCD00778544
ZINC000017744111
ZINC000100472491

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.