Bis(3,5-dimethoxyphenyl)methanone

HCID 21609692

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 184090-09-3
Standard SMILES: COc1cc(OC)cc(C(=O)c2cc(OC)cc(OC)c2)c1
InChIKey: ICBRWQKLAOCTLD-UHFFFAOYSA-N
Molecular formula: C17H18O5
Average molar mass: 302.32 g/mol
Monoisotopic mass: 302.11542367

Names & identifiers

Preferred name: Bis(3,5-dimethoxyphenyl)methanone
IUPAC: bis(3,5-dimethoxyphenyl)methanone

Names & synonyms

Bis(3,5-dimethoxyphenyl)methanone184090-09-3DTXSID40616321RefChem:329689DTXCID90567076Methanone, bis(3,5-dimethoxyphenyl)-SCHEMBL1817008ICBRWQKLAOCTLD-UHFFFAOYSA-NBis-(3,5-dimethoxyphenyl)methanone

Database identifiers

CAS: 184090-09-3
PubChem CID: 21609692
DTXSID: DTXSID40616321

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 303

Related reactions

8 records

New reaction record

HRID 310431As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 883827As productuspto-grants-2012_08

HRID 883828As reactantuspto-grants-2012_08

HRID 970963As reactantuspto-grants-2007_12

HRID 2346502As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2378170As reactantuspto-grants-2008_12

HRID 2407596As productuspto-grants-2014_08

HRID 2407597As reactantuspto-grants-2014_08

Compound notes

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