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

C12H12Cl2O2 — CID 107307902

IUPAC2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCOC1
InChIInChI=1S/C12H12Cl2O2/c13-10-3-1-2-8(12(10)14)6-11(15)9-4-5-16-7-9/h1-3,9H,4-7H2
InChIKeyROPLISBAVHIDHO-UHFFFAOYSA-N
MW259.13 g/mol
LogP3.14
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone (PubChem CID 107307902) has the molecular formula C12H12Cl2O2 and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
PubChem CID107307902
Molecular FormulaC12H12Cl2O2
Molecular Weight259.13 g/mol
Exact Mass258.02
IUPAC Name2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1Cl)C1CCOC1
InChIInChI=1S/C12H12Cl2O2/c13-10-3-1-2-8(12(10)14)6-11(15)9-4-5-16-7-9/h1-3,9H,4-7H2
InChIKeyROPLISBAVHIDHO-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

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Related Compounds

2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 112653344
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-bromophenyl)-1-(oxolan-3-yl)ethanone
CID 63564355
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
N-[(2,3-dichlorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920110
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2,3-dichlorophenyl)ethanone
CID 107311653
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356
2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
CID 65332498

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone (CID 107307902) is 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone is O=C(Cc1cccc(Cl)c1Cl)C1CCOC1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
The InChIKey is ROPLISBAVHIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O2/c13-10-3-1-2-8(12(10)14)6-11(15)9-4-5-16-7-9/h1-3,9H,4-7H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone?
2-(2,3-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-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 107307902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).