2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane

C11H12Cl2O2 — CID 139910210

IUPAC2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane
SMILESCCC1COC(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C11H12Cl2O2/c1-2-8-6-14-11(15-8)9-4-3-7(12)5-10(9)13/h3-5,8,11H,2,6H2,1H3
InChIKeyLOVFXSANKBUMLL-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.82
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane

2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane (PubChem CID 139910210) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane
PubChem CID139910210
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane
SMILESCCC1COC(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C11H12Cl2O2/c1-2-8-6-14-11(15-8)9-4-3-7(12)5-10(9)13/h3-5,8,11H,2,6H2,1H3
InChIKeyLOVFXSANKBUMLL-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane (CID 139910210) is 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane is CCC1COC(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane?
The InChIKey is LOVFXSANKBUMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-2-8-6-14-11(15-8)9-4-3-7(12)5-10(9)13/h3-5,8,11H,2,6H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane?
2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane has a molecular weight of 247.12 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolane is sourced from PubChem (CID 139910210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).