6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one

C16H23FO3 — CID 83922709

IUPAC6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C16H23FO3/c1-5-11(7-8-12(18)6-2)13-9-15(19-3)16(20-4)10-14(13)17/h9-11H,5-8H2,1-4H3
InChIKeyXHYNFNIFRGEDKG-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.10
Rot. Bonds8

About 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one

6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one (PubChem CID 83922709) has the molecular formula C16H23FO3 and a molecular weight of 282.36 g/mol. Its IUPAC name is 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one.

Molecular Properties

Compound Name6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
PubChem CID83922709
Molecular FormulaC16H23FO3
Molecular Weight282.36 g/mol
Exact Mass282.16
IUPAC Name6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C16H23FO3/c1-5-11(7-8-12(18)6-2)13-9-15(19-3)16(20-4)10-14(13)17/h9-11H,5-8H2,1-4H3
InChIKeyXHYNFNIFRGEDKG-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
CID 83927787
6-(2,5-dimethoxyphenyl)octan-3-one
CID 83938220
5-(2-fluoro-4,5-dimethoxyphenyl)heptane-2,3-diol
CID 83922798
6-(4-methoxy-2,3,6-trimethylphenyl)octan-3-one
CID 83939309
6-(3,4-difluorophenyl)octan-3-one
CID 83936173
6-(2-bromo-4,5-dimethylphenyl)octan-3-one
CID 83921876
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
CID 171214001
6-amino-6-(2-fluoro-4,5-dimethoxyphenyl)hexanamide
CID 62865517
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845
6-(2,5-dimethylphenyl)octan-3-one
CID 83928115
6-(2,5-dimethyl-4-propoxyphenyl)octan-3-one
CID 83940950
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 62867105

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one?
The IUPAC name of 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one (CID 83922709) is 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one.
What is the SMILES notation for 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one?
The canonical SMILES for 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one is CCC(=O)CCC(CC)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one?
The InChIKey is XHYNFNIFRGEDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3/c1-5-11(7-8-12(18)6-2)13-9-15(19-3)16(20-4)10-14(13)17/h9-11H,5-8H2,1-4H3.
What are the key properties of 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one?
6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one has a molecular weight of 282.36 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one is sourced from PubChem (CID 83922709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).