4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane

C13H15Cl3O2 — CID 21326619

IUPAC4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane
SMILESCc1ccccc1COC1COC(C(Cl)(Cl)Cl)C1
InChIInChI=1S/C13H15Cl3O2/c1-9-4-2-3-5-10(9)7-17-11-6-12(18-8-11)13(14,15)16/h2-5,11-12H,6-8H2,1H3
InChIKeyUDAGCMWSWCQLJP-UHFFFAOYSA-N
MW309.62 g/mol
LogP4.04
Rot. Bonds3

About 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane

4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane (PubChem CID 21326619) has the molecular formula C13H15Cl3O2 and a molecular weight of 309.62 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane.

Molecular Properties

Compound Name4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane
PubChem CID21326619
Molecular FormulaC13H15Cl3O2
Molecular Weight309.62 g/mol
Exact Mass308.01
IUPAC Name4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane
SMILESCc1ccccc1COC1COC(C(Cl)(Cl)Cl)C1
InChIInChI=1S/C13H15Cl3O2/c1-9-4-2-3-5-10(9)7-17-11-6-12(18-8-11)13(14,15)16/h2-5,11-12H,6-8H2,1H3
InChIKeyUDAGCMWSWCQLJP-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 54.04
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 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane?
The IUPAC name of 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane (CID 21326619) is 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane.
What is the SMILES notation for 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane?
The canonical SMILES for 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane is Cc1ccccc1COC1COC(C(Cl)(Cl)Cl)C1.
What is the InChIKey of 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane?
The InChIKey is UDAGCMWSWCQLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3O2/c1-9-4-2-3-5-10(9)7-17-11-6-12(18-8-11)13(14,15)16/h2-5,11-12H,6-8H2,1H3.
What are the key properties of 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane?
4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane has a molecular weight of 309.62 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methoxy]-2-(trichloromethyl)oxolane is sourced from PubChem (CID 21326619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).