2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone

C12H12Cl2O2 — CID 63563601

IUPAC2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1CCOC1
InChIInChI=1S/C12H12Cl2O2/c13-10-2-1-3-11(14)9(10)6-12(15)8-4-5-16-7-8/h1-3,8H,4-7H2
InChIKeyOTTITPBAGPXJAS-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.14
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone

2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone (PubChem CID 63563601) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
PubChem CID63563601
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)C1CCOC1
InChIInChI=1S/C12H12Cl2O2/c13-10-2-1-3-11(14)9(10)6-12(15)8-4-5-16-7-8/h1-3,8H,4-7H2
InChIKeyOTTITPBAGPXJAS-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355
2-(2-chloro-4-hydroxy-6-nitrophenyl)-1-(oxolan-3-yl)ethanone
CID 147706651
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105086176
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 65420161
2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104751388

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone (CID 63563601) is 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone is O=C(Cc1c(Cl)cccc1Cl)C1CCOC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
The InChIKey is OTTITPBAGPXJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c13-10-2-1-3-11(14)9(10)6-12(15)8-4-5-16-7-8/h1-3,8H,4-7H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone has a molecular weight of 259.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 63563601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).