2-(2,4,5-trichlorophenoxy)ethanol

C8H7Cl3O2 — CID 16462

IUPAC2-(2,4,5-trichlorophenoxy)ethanol
SMILESOCCOc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3O2/c9-5-3-7(11)8(4-6(5)10)13-2-1-12/h3-4,12H,1-2H2
InChIKeyATKFMEGWDYLXBP-UHFFFAOYSA-N
MW241.50 g/mol
LogP3.02
Rot. Bonds3

About 2-(2,4,5-trichlorophenoxy)ethanol

2-(2,4,5-trichlorophenoxy)ethanol (PubChem CID 16462) has the molecular formula C8H7Cl3O2 and a molecular weight of 241.50 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenoxy)ethanol.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenoxy)ethanol
PubChem CID16462
Molecular FormulaC8H7Cl3O2
Molecular Weight241.50 g/mol
Exact Mass239.95
IUPAC Name2-(2,4,5-trichlorophenoxy)ethanol
SMILESOCCOc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3O2/c9-5-3-7(11)8(4-6(5)10)13-2-1-12/h3-4,12H,1-2H2
InChIKeyATKFMEGWDYLXBP-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(2,4,5-trichlorophenoxy)ethanol?
The IUPAC name of 2-(2,4,5-trichlorophenoxy)ethanol (CID 16462) is 2-(2,4,5-trichlorophenoxy)ethanol.
What is the SMILES notation for 2-(2,4,5-trichlorophenoxy)ethanol?
The canonical SMILES for 2-(2,4,5-trichlorophenoxy)ethanol is OCCOc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,5-trichlorophenoxy)ethanol?
The InChIKey is ATKFMEGWDYLXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3O2/c9-5-3-7(11)8(4-6(5)10)13-2-1-12/h3-4,12H,1-2H2.
What are the key properties of 2-(2,4,5-trichlorophenoxy)ethanol?
2-(2,4,5-trichlorophenoxy)ethanol has a molecular weight of 241.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenoxy)ethanol is sourced from PubChem (CID 16462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).