3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane

C11H11Cl3O — CID 79372823

IUPAC3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane
SMILESClCC1CCOC1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl3O/c12-6-7-4-5-15-11(7)8-2-1-3-9(13)10(8)14/h1-3,7,11H,4-6H2
InChIKeyQFLKCXJRSUQJSP-UHFFFAOYSA-N
MW265.57 g/mol
LogP4.31
Rot. Bonds2

About 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane

3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane (PubChem CID 79372823) has the molecular formula C11H11Cl3O and a molecular weight of 265.57 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane
PubChem CID79372823
Molecular FormulaC11H11Cl3O
Molecular Weight265.57 g/mol
Exact Mass263.99
IUPAC Name3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane
SMILESClCC1CCOC1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl3O/c12-6-7-4-5-15-11(7)8-2-1-3-9(13)10(8)14/h1-3,7,11H,4-6H2
InChIKeyQFLKCXJRSUQJSP-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane (CID 79372823) is 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane is ClCC1CCOC1c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane?
The InChIKey is QFLKCXJRSUQJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O/c12-6-7-4-5-15-11(7)8-2-1-3-9(13)10(8)14/h1-3,7,11H,4-6H2.
What are the key properties of 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane?
3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane has a molecular weight of 265.57 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2,3-dichlorophenyl)oxolane is sourced from PubChem (CID 79372823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).