3-[chloro-(2,5-dichlorophenyl)methyl]oxolane

C11H11Cl3O — CID 61278920

IUPAC3-[chloro-(2,5-dichlorophenyl)methyl]oxolane
SMILESClc1ccc(Cl)c(C(Cl)C2CCOC2)c1
InChIInChI=1S/C11H11Cl3O/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6H2
InChIKeyMBEJBBLXJANIET-UHFFFAOYSA-N
MW265.57 g/mol
LogP4.31
Rot. Bonds2

About 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane

3-[chloro-(2,5-dichlorophenyl)methyl]oxolane (PubChem CID 61278920) has the molecular formula C11H11Cl3O and a molecular weight of 265.57 g/mol. Its IUPAC name is 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane.

Molecular Properties

Compound Name3-[chloro-(2,5-dichlorophenyl)methyl]oxolane
PubChem CID61278920
Molecular FormulaC11H11Cl3O
Molecular Weight265.57 g/mol
Exact Mass263.99
IUPAC Name3-[chloro-(2,5-dichlorophenyl)methyl]oxolane
SMILESClc1ccc(Cl)c(C(Cl)C2CCOC2)c1
InChIInChI=1S/C11H11Cl3O/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6H2
InChIKeyMBEJBBLXJANIET-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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Related Compounds

N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
4-[bromo-(2,5-dichlorophenyl)methyl]oxane
CID 62905706
3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]oxolane
CID 61278720
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
3-[chloro-(2,5-dimethylphenyl)methyl]oxolane
CID 61276891
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
[(5-chloro-2-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105306666
3-[chloro-(2,4-difluorophenyl)methyl]oxane
CID 63014568
(S)-(5-bromo-2-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257309
3-[(5-bromo-4-chlorothiophen-2-yl)-chloromethyl]oxolane
CID 80533380
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane?
The IUPAC name of 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane (CID 61278920) is 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane.
What is the SMILES notation for 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane?
The canonical SMILES for 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane is Clc1ccc(Cl)c(C(Cl)C2CCOC2)c1.
What is the InChIKey of 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane?
The InChIKey is MBEJBBLXJANIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6H2.
What are the key properties of 3-[chloro-(2,5-dichlorophenyl)methyl]oxolane?
3-[chloro-(2,5-dichlorophenyl)methyl]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-[chloro-(2,5-dichlorophenyl)methyl]oxolane is sourced from PubChem (CID 61278920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).