9a-butyl-8-chloro-4-(1-ethoxyvinyl)-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HCID 21990909
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Basic information

Standard SMILES
C=C(OCC)C1=C2c3ccc(OC)c(Cl)c3CC2(CCCC)CCC1=O
InChIKey
HEDHJYFIESDNCA-UHFFFAOYSA-N
Molecular formula
C22H27ClO3
Average molar mass
374.9 g/mol

Names & identifiers

Preferred name
9a-butyl-8-chloro-4-(1-ethoxyvinyl)-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
IUPAC
9a-butyl-8-chloro-4-(1-ethoxyethenyl)-7-methoxy-2,9-dihydro-1H-fluoren-3-one

Names & synonyms

SCHEMBL2417395HEDHJYFIESDNCA-UHFFFAOYSA-N9a-butyl-8-chloro-4-(1-ethoxyvinyl)-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Database identifiers

PubChem CID
21990909

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
26

Related reactions

4 records
New reaction record

Linked notes

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