1-(4-Fluoro-3-methoxyphenyl)-2-phenylethanone

HCID 59458409

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(C(=O)Cc2ccccc2)ccc1F
InChIKey: IHNMQQDFCZGGDR-UHFFFAOYSA-N
Molecular formula: C15H13FO2
Average molar mass: 244.26 g/mol

Names & identifiers

Preferred name: 1-(4-Fluoro-3-methoxyphenyl)-2-phenylethanone
IUPAC: 1-(4-fluoro-3-methoxyphenyl)-2-phenylethanone

Names & synonyms

1-(4-fluoro-3-methoxyphenyl)-2-phenylethanoneSCHEMBL760057IHNMQQDFCZGGDR-UHFFFAOYSA-NAKOS019856960

Database identifiers

PubChem CID: 59458409

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Related reactions

8 records

New reaction record

HRID 186716As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 201617As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 238766As productuspto-grants-2014_02

HRID 238767As reactantuspto-grants-2014_02

HRID 1712732As productuspto-grants-2010_09

HRID 1712733As reactantuspto-grants-2010_09

HRID 1874189As productuspto-grants-2012_11

HRID 1874190As reactantuspto-grants-2012_11

Compound notes

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