2,3,5-trichloro-4-ethoxyphenol

C8H7Cl3O2 — CID 13114662

IUPAC2,3,5-trichloro-4-ethoxyphenol
SMILESCCOc1c(Cl)cc(O)c(Cl)c1Cl
InChIInChI=1S/C8H7Cl3O2/c1-2-13-8-4(9)3-5(12)6(10)7(8)11/h3,12H,2H2,1H3
InChIKeyFXQFHDXRLCNKCI-UHFFFAOYSA-N
MW241.50 g/mol
LogP3.75
Rot. Bonds2

About 2,3,5-trichloro-4-ethoxyphenol

2,3,5-trichloro-4-ethoxyphenol (PubChem CID 13114662) has the molecular formula C8H7Cl3O2 and a molecular weight of 241.50 g/mol. Its IUPAC name is 2,3,5-trichloro-4-ethoxyphenol.

Molecular Properties

Compound Name2,3,5-trichloro-4-ethoxyphenol
PubChem CID13114662
Molecular FormulaC8H7Cl3O2
Molecular Weight241.50 g/mol
Exact Mass239.95
IUPAC Name2,3,5-trichloro-4-ethoxyphenol
SMILESCCOc1c(Cl)cc(O)c(Cl)c1Cl
InChIInChI=1S/C8H7Cl3O2/c1-2-13-8-4(9)3-5(12)6(10)7(8)11/h3,12H,2H2,1H3
InChIKeyFXQFHDXRLCNKCI-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.50
LogP ≤ 53.75
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 2,3,5-trichloro-4-ethoxyphenol?
The IUPAC name of 2,3,5-trichloro-4-ethoxyphenol (CID 13114662) is 2,3,5-trichloro-4-ethoxyphenol.
What is the SMILES notation for 2,3,5-trichloro-4-ethoxyphenol?
The canonical SMILES for 2,3,5-trichloro-4-ethoxyphenol is CCOc1c(Cl)cc(O)c(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-4-ethoxyphenol?
The InChIKey is FXQFHDXRLCNKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3O2/c1-2-13-8-4(9)3-5(12)6(10)7(8)11/h3,12H,2H2,1H3.
What are the key properties of 2,3,5-trichloro-4-ethoxyphenol?
2,3,5-trichloro-4-ethoxyphenol has a molecular weight of 241.50 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-4-ethoxyphenol is sourced from PubChem (CID 13114662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).