2-(3-chlorophenoxy)-1-phenylethanone

C14H11ClO2 — CID 13284250

IUPAC2-(3-chlorophenoxy)-1-phenylethanone
SMILESO=C(COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H11ClO2/c15-12-7-4-8-13(9-12)17-10-14(16)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyQURJXQASERTKFX-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.60
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-phenylethanone

2-(3-chlorophenoxy)-1-phenylethanone (PubChem CID 13284250) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-phenylethanone
PubChem CID13284250
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name2-(3-chlorophenoxy)-1-phenylethanone
SMILESO=C(COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C14H11ClO2/c15-12-7-4-8-13(9-12)17-10-14(16)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyQURJXQASERTKFX-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-phenylethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-phenylethanone (CID 13284250) is 2-(3-chlorophenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-phenylethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-phenylethanone is O=C(COc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-phenylethanone?
The InChIKey is QURJXQASERTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-12-7-4-8-13(9-12)17-10-14(16)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 2-(3-chlorophenoxy)-1-phenylethanone?
2-(3-chlorophenoxy)-1-phenylethanone has a molecular weight of 246.69 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-phenylethanone is sourced from PubChem (CID 13284250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).