2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane

C11H13ClO2 — CID 23439917

IUPAC2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCC1(c2cccc(CCl)c2)OCCO1
InChIInChI=1S/C11H13ClO2/c1-11(13-5-6-14-11)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8H2,1H3
InChIKeyYZMNRPQTZPPIJY-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.64
Rot. Bonds2

About 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane

2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane (PubChem CID 23439917) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane
PubChem CID23439917
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCC1(c2cccc(CCl)c2)OCCO1
InChIInChI=1S/C11H13ClO2/c1-11(13-5-6-14-11)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8H2,1H3
InChIKeyYZMNRPQTZPPIJY-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane (CID 23439917) is 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane is CC1(c2cccc(CCl)c2)OCCO1.
What is the InChIKey of 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane?
The InChIKey is YZMNRPQTZPPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-11(13-5-6-14-11)10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane?
2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane has a molecular weight of 212.68 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)phenyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 23439917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).