2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane

C10H10Cl2O3 — CID 83957634

IUPAC2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane
SMILESCOc1c(Cl)cc(C2OCCO2)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-13-9-7(11)4-6(5-8(9)12)10-14-2-3-15-10/h4-5,10H,2-3H2,1H3
InChIKeyBTBUVCWDXLLASI-UHFFFAOYSA-N
MW249.09 g/mol
LogP3.05
Rot. Bonds2

About 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane

2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane (PubChem CID 83957634) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane
PubChem CID83957634
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane
SMILESCOc1c(Cl)cc(C2OCCO2)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-13-9-7(11)4-6(5-8(9)12)10-14-2-3-15-10/h4-5,10H,2-3H2,1H3
InChIKeyBTBUVCWDXLLASI-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane (CID 83957634) is 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane is COc1c(Cl)cc(C2OCCO2)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
The InChIKey is BTBUVCWDXLLASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-13-9-7(11)4-6(5-8(9)12)10-14-2-3-15-10/h4-5,10H,2-3H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane has a molecular weight of 249.09 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 83957634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).