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

C11H13ClO2 — CID 58677333

IUPAC2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C11H13ClO2/c1-2-11(13-7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyYDMRPSNFRRHUKE-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.95
Rot. Bonds2

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

2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane (PubChem CID 58677333) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane
PubChem CID58677333
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C11H13ClO2/c1-2-11(13-7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyYDMRPSNFRRHUKE-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane (CID 58677333) is 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane is CCC1(c2ccc(Cl)cc2)OCCO1.
What is the InChIKey of 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane?
The InChIKey is YDMRPSNFRRHUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-11(13-7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane?
2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane has a molecular weight of 212.68 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 58677333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).