3-(3,5-dichlorophenoxy)oxetane

C9H8Cl2O2 — CID 130653850

IUPAC3-(3,5-dichlorophenoxy)oxetane
SMILESClc1cc(Cl)cc(OC2COC2)c1
InChIInChI=1S/C9H8Cl2O2/c10-6-1-7(11)3-8(2-6)13-9-4-12-5-9/h1-3,9H,4-5H2
InChIKeyKQERLINLDCAXKW-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.77
Rot. Bonds2

About 3-(3,5-dichlorophenoxy)oxetane

3-(3,5-dichlorophenoxy)oxetane (PubChem CID 130653850) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)oxetane.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)oxetane
PubChem CID130653850
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name3-(3,5-dichlorophenoxy)oxetane
SMILESClc1cc(Cl)cc(OC2COC2)c1
InChIInChI=1S/C9H8Cl2O2/c10-6-1-7(11)3-8(2-6)13-9-4-12-5-9/h1-3,9H,4-5H2
InChIKeyKQERLINLDCAXKW-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154873549
3-(3-bromophenoxy)oxetane
CID 83487082
ethane;4-(oxetan-3-yloxy)aniline
CID 169232472
4-(3-chloro-5-nitrophenoxy)oxane
CID 146628028
3-bromo-5-(oxetan-3-yloxy)pyridine
CID 115669745
3-(oxetan-3-yloxy)-5-propoxyaniline
CID 102605481
3-methyl-5-(oxetan-3-yloxy)benzoic acid
CID 152883578
3-nitro-5-(oxetan-3-yloxy)aniline
CID 102608859
5-chloro-2-(oxetan-3-yloxy)pyridine-3-carbaldehyde
CID 119054234
3-thiophen-3-yloxyoxetane
CID 141476124
3-(4-bromo-2-chlorophenoxy)oxetane
CID 118058057
2-chloro-6-(3-methoxyoxolan-3-yl)-4-(oxetan-3-yloxy)pyridine
CID 139464616

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)oxetane?
The IUPAC name of 3-(3,5-dichlorophenoxy)oxetane (CID 130653850) is 3-(3,5-dichlorophenoxy)oxetane.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)oxetane?
The canonical SMILES for 3-(3,5-dichlorophenoxy)oxetane is Clc1cc(Cl)cc(OC2COC2)c1.
What is the InChIKey of 3-(3,5-dichlorophenoxy)oxetane?
The InChIKey is KQERLINLDCAXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-6-1-7(11)3-8(2-6)13-9-4-12-5-9/h1-3,9H,4-5H2.
What are the key properties of 3-(3,5-dichlorophenoxy)oxetane?
3-(3,5-dichlorophenoxy)oxetane has a molecular weight of 219.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)oxetane is sourced from PubChem (CID 130653850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).