2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane

C11H12Cl2O3 — CID 82091052

IUPAC2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane
SMILESClc1cccc(Cl)c1OCCC1OCCO1
InChIInChI=1S/C11H12Cl2O3/c12-8-2-1-3-9(13)11(8)16-5-4-10-14-6-7-15-10/h1-3,10H,4-7H2
InChIKeyVSEKLQXWUWRWCD-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane

2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane (PubChem CID 82091052) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane
PubChem CID82091052
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane
SMILESClc1cccc(Cl)c1OCCC1OCCO1
InChIInChI=1S/C11H12Cl2O3/c12-8-2-1-3-9(13)11(8)16-5-4-10-14-6-7-15-10/h1-3,10H,4-7H2
InChIKeyVSEKLQXWUWRWCD-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
[3-chloro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 112612609
2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
CID 82078485
[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]methylidenehydrazine
CID 168530644
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
CID 39387933
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
CID 65249570
2-[3-[2-(bromomethyl)-6-chlorophenoxy]propyl]oxolane
CID 112613783
2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol
CID 60774461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane (CID 82091052) is 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane is Clc1cccc(Cl)c1OCCC1OCCO1.
What is the InChIKey of 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane?
The InChIKey is VSEKLQXWUWRWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c12-8-2-1-3-9(13)11(8)16-5-4-10-14-6-7-15-10/h1-3,10H,4-7H2.
What are the key properties of 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane?
2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane has a molecular weight of 263.12 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane is sourced from PubChem (CID 82091052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).