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(+)-3-Fluoro-4-(2-methyloctanoyl) anisole

HCID 15027240
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCC(C)C(=O)c1ccc(OC)cc1F
InChIKey
AHUHFIDOVUEQJS-UHFFFAOYSA-N
Molecular formula
C16H23FO2
Average molar mass
266.35 g/mol

Names & identifiers

Preferred name
(+)-3-Fluoro-4-(2-methyloctanoyl) anisole
IUPAC
1-(2-fluoro-4-methoxyphenyl)-2-methyloctan-1-one

Names & synonyms

SCHEMBL9440220AHUHFIDOVUEQJS-UHFFFAOYSA-N(+)-3-fluoro-4-(2-methyloctanoyl) anisole

Database identifiers

PubChem CID
15027240

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
19
Formal charge
0
Complexity
267

Related reactions

1 records
New reaction record
HRID 2372252 reaction equation
HRID 2372252As reactantuspto-grants-1992_03

Compound notes

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