(2E)-3-[4-(9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fluoren-4-yl)phenyl]-2-propenoic acid

HCID 10294530
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Basic information

Standard SMILES
CCCCC12CCC(=O)C(c3ccc(/C=C/C(=O)O)cc3)=C1c1ccc(O)cc1C2
InChIKey
DLQGHVKYMKNSFO-IZZDOVSWSA-N
Molecular formula
C26H26O4
Average molar mass
402.5 g/mol

Names & identifiers

Preferred name
(2E)-3-[4-(9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fluoren-4-yl)phenyl]-2-propenoic acid
IUPAC
(E)-3-[4-(9a-butyl-7-hydroxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl]prop-2-enoic acid

Names & synonyms

SCHEMBL2415189DLQGHVKYMKNSFO-IZZDOVSWSA-N(2E)-3-[4-(9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fluoren-4-yl)phenyl]-2-propenoic acid

Database identifiers

PubChem CID
10294530

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
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Compound notes

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