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

HCID 21990923
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Basic information

Standard SMILES
CCCCC12CCC(=O)C=C1c1ccc(OC)c(Cl)c1C2
InChIKey
PWUIMBUCDFPUCV-UHFFFAOYSA-N
Molecular formula
C18H21ClO2
Average molar mass
304.8 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL2421182PWUIMBUCDFPUCV-UHFFFAOYSA-N9a-butyl-8-chloro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Database identifiers

PubChem CID
21990923

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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9a-butyl-8-chloro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one (HCID 21990923)｜Huagongshe