1-[3-(4-chlorophenoxy)phenyl]ethanone

C14H11ClO2 — CID 14797582

IUPAC1-[3-(4-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11ClO2/c1-10(16)11-3-2-4-14(9-11)17-13-7-5-12(15)6-8-13/h2-9H,1H3
InChIKeyLUTIDQLOGNSFIC-UHFFFAOYSA-N
MW246.69 g/mol
LogP4.33
Rot. Bonds3

About 1-[3-(4-chlorophenoxy)phenyl]ethanone

1-[3-(4-chlorophenoxy)phenyl]ethanone (PubChem CID 14797582) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)phenyl]ethanone
PubChem CID14797582
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name1-[3-(4-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11ClO2/c1-10(16)11-3-2-4-14(9-11)17-13-7-5-12(15)6-8-13/h2-9H,1H3
InChIKeyLUTIDQLOGNSFIC-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-chlorophenoxy)phenyl]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-[3-(4-chlorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(4-chlorophenoxy)phenyl]ethanone (CID 14797582) is 1-[3-(4-chlorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-chlorophenoxy)phenyl]ethanone is CC(=O)c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)phenyl]ethanone?
The InChIKey is LUTIDQLOGNSFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-10(16)11-3-2-4-14(9-11)17-13-7-5-12(15)6-8-13/h2-9H,1H3.
What are the key properties of 1-[3-(4-chlorophenoxy)phenyl]ethanone?
1-[3-(4-chlorophenoxy)phenyl]ethanone has a molecular weight of 246.69 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)phenyl]ethanone is sourced from PubChem (CID 14797582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).