3-(2,4-dichlorophenyl)-2,2-dimethyloxirane

C10H10Cl2O — CID 116864111

IUPAC3-(2,4-dichlorophenyl)-2,2-dimethyloxirane
SMILESCC1(C)OC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2O/c1-10(2)9(13-10)7-4-3-6(11)5-8(7)12/h3-5,9H,1-2H3
InChIKeySETSNKCFPSKNIN-UHFFFAOYSA-N
MW217.09 g/mol
LogP3.84
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane

3-(2,4-dichlorophenyl)-2,2-dimethyloxirane (PubChem CID 116864111) has the molecular formula C10H10Cl2O and a molecular weight of 217.09 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2,2-dimethyloxirane
PubChem CID116864111
Molecular FormulaC10H10Cl2O
Molecular Weight217.09 g/mol
Exact Mass216.01
IUPAC Name3-(2,4-dichlorophenyl)-2,2-dimethyloxirane
SMILESCC1(C)OC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2O/c1-10(2)9(13-10)7-4-3-6(11)5-8(7)12/h3-5,9H,1-2H3
InChIKeySETSNKCFPSKNIN-UHFFFAOYSA-N
XLogP3.84
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane (CID 116864111) is 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane is CC1(C)OC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane?
The InChIKey is SETSNKCFPSKNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O/c1-10(2)9(13-10)7-4-3-6(11)5-8(7)12/h3-5,9H,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane?
3-(2,4-dichlorophenyl)-2,2-dimethyloxirane has a molecular weight of 217.09 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2,2-dimethyloxirane is sourced from PubChem (CID 116864111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).