8-Iodo-4',5,7-trimethoxyflavone

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Basic information

CAS: 1165-94-2
Standard SMILES: COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(I)c3o2)cc1
InChIKey: IQMRCLWZANBISD-UHFFFAOYSA-N
Molecular formula: C18H15IO5
Average molar mass: 438.2 g/mol
Monoisotopic mass: 437.99642

Names & identifiers

Preferred name: 8-Iodo-4',5,7-trimethoxyflavone
IUPAC: 8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

Names & synonyms

1165-94-2CMLDBU000002868-Iodo-4',5,7-trimethoxyflavone8-Iodo-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one4',5,7-Trimethoxy-8-iodoflavanone8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one4h-1-benzopyran-4-one,8-iodo-5,7-dimethoxy-2-(4-methoxyphenyl)-SCHEMBL27901509SCHEMBL29433726DTXSID40332796KUC100668NXL-13

Show more names

8-Iodo-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-oneQ63408922

Database identifiers

CAS: 1165-94-2
PubChem CID: 466283
DTXSID: DTXSID40332796
Nikkaji: J46.390F

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 486

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Compound notes

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