[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol

C11H11Cl3O3 — CID 111975884

IUPAC[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol
SMILESOCC1(COc2cc(Cl)c(Cl)cc2Cl)COC1
InChIInChI=1S/C11H11Cl3O3/c12-7-1-9(14)10(2-8(7)13)17-6-11(3-15)4-16-5-11/h1-2,15H,3-6H2
InChIKeyZQNQQWTUYNNIBZ-UHFFFAOYSA-N
MW297.56 g/mol
LogP3.03
Rot. Bonds4

About [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol

[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol (PubChem CID 111975884) has the molecular formula C11H11Cl3O3 and a molecular weight of 297.56 g/mol. Its IUPAC name is [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol
PubChem CID111975884
Molecular FormulaC11H11Cl3O3
Molecular Weight297.56 g/mol
Exact Mass295.98
IUPAC Name[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol
SMILESOCC1(COc2cc(Cl)c(Cl)cc2Cl)COC1
InChIInChI=1S/C11H11Cl3O3/c12-7-1-9(14)10(2-8(7)13)17-6-11(3-15)4-16-5-11/h1-2,15H,3-6H2
InChIKeyZQNQQWTUYNNIBZ-UHFFFAOYSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol (CID 111975884) is [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol is OCC1(COc2cc(Cl)c(Cl)cc2Cl)COC1.
What is the InChIKey of [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol?
The InChIKey is ZQNQQWTUYNNIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O3/c12-7-1-9(14)10(2-8(7)13)17-6-11(3-15)4-16-5-11/h1-2,15H,3-6H2.
What are the key properties of [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol?
[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol has a molecular weight of 297.56 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111975884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).