3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane

C12H14Cl2O — CID 106819310

IUPAC3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane
SMILESCc1ccc(C2OCCC2CCl)cc1Cl
InChIInChI=1S/C12H14Cl2O/c1-8-2-3-9(6-11(8)14)12-10(7-13)4-5-15-12/h2-3,6,10,12H,4-5,7H2,1H3
InChIKeyKJZQKARNSKUYLY-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.96
Rot. Bonds2

About 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane

3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane (PubChem CID 106819310) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane
PubChem CID106819310
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane
SMILESCc1ccc(C2OCCC2CCl)cc1Cl
InChIInChI=1S/C12H14Cl2O/c1-8-2-3-9(6-11(8)14)12-10(7-13)4-5-15-12/h2-3,6,10,12H,4-5,7H2,1H3
InChIKeyKJZQKARNSKUYLY-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.96
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-(3-chloro-4-methylphenyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane (CID 106819310) is 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane is Cc1ccc(C2OCCC2CCl)cc1Cl.
What is the InChIKey of 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane?
The InChIKey is KJZQKARNSKUYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-8-2-3-9(6-11(8)14)12-10(7-13)4-5-15-12/h2-3,6,10,12H,4-5,7H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane?
3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane has a molecular weight of 245.15 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxolane is sourced from PubChem (CID 106819310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).