1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone

C16H14ClFO2 — CID 43247767

IUPAC1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone
SMILESCCc1cc(Oc2cccc(F)c2C(C)=O)ccc1Cl
InChIInChI=1S/C16H14ClFO2/c1-3-11-9-12(7-8-13(11)17)20-15-6-4-5-14(18)16(15)10(2)19/h4-9H,3H2,1-2H3
InChIKeyXBAYYDGJZRUQBA-UHFFFAOYSA-N
MW292.74 g/mol
LogP5.04
Rot. Bonds4

About 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone

1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone (PubChem CID 43247767) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone
PubChem CID43247767
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone
SMILESCCc1cc(Oc2cccc(F)c2C(C)=O)ccc1Cl
InChIInChI=1S/C16H14ClFO2/c1-3-11-9-12(7-8-13(11)17)20-15-6-4-5-14(18)16(15)10(2)19/h4-9H,3H2,1-2H3
InChIKeyXBAYYDGJZRUQBA-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.74
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone (CID 43247767) is 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone is CCc1cc(Oc2cccc(F)c2C(C)=O)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone?
The InChIKey is XBAYYDGJZRUQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-3-11-9-12(7-8-13(11)17)20-15-6-4-5-14(18)16(15)10(2)19/h4-9H,3H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone?
1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone has a molecular weight of 292.74 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone is sourced from PubChem (CID 43247767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).