Ethyl 7-[5-(p-fluorophenyl)-2-pentyl]-5-hydroxy-4-methylcoumarin-3-propionate

HCID 22765002
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Basic information

Standard SMILES
CCOC(=O)CCc1c(C)c2c(O)cc(C(C)CCCc3ccc(F)cc3)cc2oc1=O
InChIKey
NUBYUOCJACYPPQ-UHFFFAOYSA-N
Molecular formula
C26H29FO5
Average molar mass
440.5 g/mol
Monoisotopic mass
440.19990218

Names & identifiers

Preferred name
Ethyl 7-[5-(p-fluorophenyl)-2-pentyl]-5-hydroxy-4-methylcoumarin-3-propionate
IUPAC
ethyl 3-[7-[5-(4-fluorophenyl)pentan-2-yl]-5-hydroxy-4-methyl-2-oxochromen-3-yl]propanoate

Names & synonyms

SCHEMBL11627878NUBYUOCJACYPPQ-UHFFFAOYSA-NEthyl 7-[5-(p-fluorophenyl)-2-pentyl]-5-hydroxy-4-methylcoumarin-3-propionate

Database identifiers

PubChem CID
22765002

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
32

Related reactions

2 records
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Compound notes

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