1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone

C12H13FO3 — CID 63559449

IUPAC1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCOC2)c(F)c1
InChIInChI=1S/C12H13FO3/c1-8(14)9-2-3-12(11(13)6-9)16-10-4-5-15-7-10/h2-3,6,10H,4-5,7H2,1H3
InChIKeyZKWUERXMPBWUDD-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.20
Rot. Bonds3

About 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone

1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone (PubChem CID 63559449) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
PubChem CID63559449
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCOC2)c(F)c1
InChIInChI=1S/C12H13FO3/c1-8(14)9-2-3-12(11(13)6-9)16-10-4-5-15-7-10/h2-3,6,10H,4-5,7H2,1H3
InChIKeyZKWUERXMPBWUDD-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4'-Methoxyacetophenone
CID 7476
4-Methoxybenzaldehyde
CID 31244
4'-Methoxychalcone
CID 641818
4-Ethoxybenzaldehyde
CID 24834
2-Hydroxy-1-(4-(hydroxyethoxy)phenyl)-2-methyl-1-propanone
CID 86266
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
CID 31494
p-Acetylphenyl acetate
CID 83063
Ethyl 4-ethoxybenzoate
CID 90232
Roflupram
CID 25147798
4-Phenoxybenzaldehyde
CID 66139
4-Methoxybenzophenone
CID 69146
p-Ethoxyacetophenone
CID 72872

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone (CID 63559449) is 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone is CC(=O)c1ccc(OC2CCOC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone?
The InChIKey is ZKWUERXMPBWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-8(14)9-2-3-12(11(13)6-9)16-10-4-5-15-7-10/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone?
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone has a molecular weight of 224.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone is sourced from PubChem (CID 63559449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).