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

C12H15ClO2 — CID 83957849

IUPAC2-(4-chlorophenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C12H15ClO2/c1-2-7-12(14-8-9-15-12)10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyYQCDDDOLNDHJDE-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.34
Rot. Bonds3

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

2-(4-chlorophenyl)-2-propyl-1,3-dioxolane (PubChem CID 83957849) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-propyl-1,3-dioxolane
PubChem CID83957849
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(4-chlorophenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2ccc(Cl)cc2)OCCO1
InChIInChI=1S/C12H15ClO2/c1-2-7-12(14-8-9-15-12)10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyYQCDDDOLNDHJDE-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.34
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-propyl-1,3-dioxolane?
The IUPAC name of 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane (CID 83957849) is 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane is CCCC1(c2ccc(Cl)cc2)OCCO1.
What is the InChIKey of 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane?
The InChIKey is YQCDDDOLNDHJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-2-7-12(14-8-9-15-12)10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane?
2-(4-chlorophenyl)-2-propyl-1,3-dioxolane has a molecular weight of 226.70 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83957849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).