2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane

C16H14Cl2O3 — CID 137420222

IUPAC2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane
SMILESCC1COC(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1
InChIInChI=1S/C16H14Cl2O3/c1-10-9-19-16(20-10)14-7-6-13(8-15(14)18)21-12-4-2-11(17)3-5-12/h2-8,10,16H,9H2,1H3
InChIKeyBGONKCCMDJYZTR-UHFFFAOYSA-N
MW325.19 g/mol
LogP5.22
Rot. Bonds3

About 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane

2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane (PubChem CID 137420222) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane
PubChem CID137420222
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane
SMILESCC1COC(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1
InChIInChI=1S/C16H14Cl2O3/c1-10-9-19-16(20-10)14-7-6-13(8-15(14)18)21-12-4-2-11(17)3-5-12/h2-8,10,16H,9H2,1H3
InChIKeyBGONKCCMDJYZTR-UHFFFAOYSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.19
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane (CID 137420222) is 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane is CC1COC(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1.
What is the InChIKey of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane?
The InChIKey is BGONKCCMDJYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-10-9-19-16(20-10)14-7-6-13(8-15(14)18)21-12-4-2-11(17)3-5-12/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane?
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane has a molecular weight of 325.19 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 137420222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).