1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene

C17H18ClFO — CID 167170800

IUPAC1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene
SMILESCCC(CC)(Oc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-3-17(4-2,13-8-10-14(18)11-9-13)20-16-7-5-6-15(19)12-16/h5-12H,3-4H2,1-2H3
InChIKeyFZHWZSQWZGQZJB-UHFFFAOYSA-N
MW292.78 g/mol
LogP5.57
Rot. Bonds5

About 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene

1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene (PubChem CID 167170800) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene
PubChem CID167170800
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene
SMILESCCC(CC)(Oc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-3-17(4-2,13-8-10-14(18)11-9-13)20-16-7-5-6-15(19)12-16/h5-12H,3-4H2,1-2H3
InChIKeyFZHWZSQWZGQZJB-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.78
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene 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-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene?
The IUPAC name of 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene (CID 167170800) is 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene?
The canonical SMILES for 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene is CCC(CC)(Oc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene?
The InChIKey is FZHWZSQWZGQZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-3-17(4-2,13-8-10-14(18)11-9-13)20-16-7-5-6-15(19)12-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene?
1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene has a molecular weight of 292.78 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene is sourced from PubChem (CID 167170800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).