7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one

HCID 5381920

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 66922-84-7
Standard SMILES: COc1cc(-c2cc(=O)c3ccc(O)cc3o2)cc(OC)c1OC
InChIKey: MDEDRFPEUVNRFK-UHFFFAOYSA-N
Molecular formula: C18H16O6
Average molar mass: 328.3 g/mol
Monoisotopic mass: 328.09468823

Names & identifiers

Preferred name: 7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
IUPAC: 7-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Names & synonyms

7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one66922-84-7ADN3BO8LSXNSC-1275727-Hydroxy-3',4',5'-trimethoxyflavoneUNII-ADN3BO8LSXNSC 1275724H-1-Benzopyran-4-one, 7-hydroxy-2-(3,4,5-trimethoxyphenyl)-DTXSID202170777-HYDROXY-2-(3,4,5-TRIMETHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONEFLAVONE, 7-HYDROXY-3',4',5'-TRIMETHOXY-RefChem:106132

Show more names

DTXCID20139568NSC127572MLS002919950CHEMBL4852477-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-oneSCHEMBL4399496MDEDRFPEUVNRFK-UHFFFAOYSA-N7-Hydroxy-3',5'-trimethoxyflavone

Database identifiers

CAS: 66922-84-7
PubChem CID: 5381920
DTXSID: DTXSID20217077
ChEMBL: CHEMBL485247
UNII: ADN3BO8LSX
Nikkaji: J924.026H

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 74.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 476

Related reactions

4 records

New reaction record

HRID 823742As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1868585As reactantuspto-grants-2009_12

HRID 1868610As reactantuspto-grants-2009_12

HRID 1868611As reactantuspto-grants-2009_12

Compound notes

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