2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane

C13H17ClO2 — CID 82117470

IUPAC2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane
SMILESCCCc1ccc(C2(CCl)OCCO2)cc1
InChIInChI=1S/C13H17ClO2/c1-2-3-11-4-6-12(7-5-11)13(10-14)15-8-9-16-13/h4-7H,2-3,8-10H2,1H3
InChIKeyUOAGIZXEOGUREG-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.08
Rot. Bonds4

About 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane

2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane (PubChem CID 82117470) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane
PubChem CID82117470
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane
SMILESCCCc1ccc(C2(CCl)OCCO2)cc1
InChIInChI=1S/C13H17ClO2/c1-2-3-11-4-6-12(7-5-11)13(10-14)15-8-9-16-13/h4-7H,2-3,8-10H2,1H3
InChIKeyUOAGIZXEOGUREG-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane (CID 82117470) is 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane is CCCc1ccc(C2(CCl)OCCO2)cc1.
What is the InChIKey of 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane?
The InChIKey is UOAGIZXEOGUREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-2-3-11-4-6-12(7-5-11)13(10-14)15-8-9-16-13/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane?
2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane has a molecular weight of 240.73 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-(4-propylphenyl)-1,3-dioxolane is sourced from PubChem (CID 82117470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).