1-(3,4,5-Trimethoxyphenyl)-3-phenyl-2-propyne-1-one

HCID 14763389
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Basic information

Standard SMILES
COc1cc(C(=O)C#Cc2ccccc2)cc(OC)c1OC
InChIKey
FFUQCFITIQPSEM-UHFFFAOYSA-N
Molecular formula
C18H16O4
Average molar mass
296.3 g/mol

Names & identifiers

Preferred name
1-(3,4,5-Trimethoxyphenyl)-3-phenyl-2-propyne-1-one
IUPAC
3-phenyl-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-one

Names & synonyms

CHEMBL62111SCHEMBL9189943FFUQCFITIQPSEM-UHFFFAOYSA-N1-(3,4,5-Trimethoxyphenyl)-3-phenyl-2-propyne-1-one

Database identifiers

PubChem CID
14763389
ChEMBL
CHEMBL62111
Nikkaji
J328.716E

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

Related reactions

2 records
New reaction record

Linked notes

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