1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone

C17H17FO3 — CID 43244939

IUPAC1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
SMILESCOCCc1ccc(Oc2ccc(F)cc2C(C)=O)cc1
InChIInChI=1S/C17H17FO3/c1-12(19)16-11-14(18)5-8-17(16)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11H,9-10H2,1-2H3
InChIKeyCNBYRDQBLDIJKO-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.01
Rot. Bonds6

About 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone

1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone (PubChem CID 43244939) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
PubChem CID43244939
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
SMILESCOCCc1ccc(Oc2ccc(F)cc2C(C)=O)cc1
InChIInChI=1S/C17H17FO3/c1-12(19)16-11-14(18)5-8-17(16)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11H,9-10H2,1-2H3
InChIKeyCNBYRDQBLDIJKO-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938709
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]-N-methylmethanamine
CID 43314356
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
CID 62073432
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone (CID 43244939) is 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone is COCCc1ccc(Oc2ccc(F)cc2C(C)=O)cc1.
What is the InChIKey of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone?
The InChIKey is CNBYRDQBLDIJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-12(19)16-11-14(18)5-8-17(16)21-15-6-3-13(4-7-15)9-10-20-2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone?
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone has a molecular weight of 288.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone is sourced from PubChem (CID 43244939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).