2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone

C12H13ClO2 — CID 61276674

IUPAC2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)C1CCOC1
InChIInChI=1S/C12H13ClO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10H,5-8H2
InChIKeyWKELVGDAWDAQFI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone

2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone (PubChem CID 61276674) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone
PubChem CID61276674
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)C1CCOC1
InChIInChI=1S/C12H13ClO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10H,5-8H2
InChIKeyWKELVGDAWDAQFI-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone (CID 61276674) is 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone is O=C(Cc1ccccc1Cl)C1CCOC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone?
The InChIKey is WKELVGDAWDAQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-11-4-2-1-3-9(11)7-12(14)10-5-6-15-8-10/h1-4,10H,5-8H2.
What are the key properties of 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone?
2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone has a molecular weight of 224.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 61276674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).