CHEBI:79574 - 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol

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ChEBI Name 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
ChEBI ID CHEBI:79574
ChEBI ASCII Name 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
Definition A member of the class of chromenes that is 2H-1-benzopyran substituted by methyl groups at positions 2 and 2, an ethyl group at position 4, a hydroxy group at position 7 and a 4-methoxyphenyl group at position 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H22O3
Net Charge 0
Average Mass 310.38690
Monoisotopic Mass 310.15689
InChI InChI=1S/C20H22O3/c1-5-16-17-11-8-14(21)12-18(17)23-20(2,3)19(16)13-6-9-15(22-4)10-7-13/h6-12,21H,5H2,1-4H3
InChIKey YHXWLHMIDZAYPE-UHFFFAOYSA-N
SMILES CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)ccc12
ChEBI Ontology
Outgoing 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol (CHEBI:79574) is a chromenes (CHEBI:23232)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol (CHEBI:79574) is a monomethoxybenzene (CHEBI:25235)
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol (CHEBI:79574) is a phenols (CHEBI:33853)
IUPAC Name
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-ol
Synonym Source
4-ethyl-3-(4-methoxy-phenyl)-2,2-dimethyl-2H-chromen-7-ol ChEBI
Manual Xref Database
C15054 KEGG COMPOUND
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Registry Number Type Source
1292561 Reaxys Registry Number Reaxys
Last Modified
23 June 2015