2,3,4,5-tetrachloro-6-ethylphenol

C8H6Cl4O — CID 18953189

IUPAC2,3,4,5-tetrachloro-6-ethylphenol
SMILESCCc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4O/c1-2-3-4(9)5(10)6(11)7(12)8(3)13/h13H,2H2,1H3
InChIKeySWRJGYUREWPYPR-UHFFFAOYSA-N
MW259.95 g/mol
LogP4.57
Rot. Bonds1

About 2,3,4,5-tetrachloro-6-ethylphenol

2,3,4,5-tetrachloro-6-ethylphenol (PubChem CID 18953189) has the molecular formula C8H6Cl4O and a molecular weight of 259.95 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-ethylphenol.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-ethylphenol
PubChem CID18953189
Molecular FormulaC8H6Cl4O
Molecular Weight259.95 g/mol
Exact Mass257.92
IUPAC Name2,3,4,5-tetrachloro-6-ethylphenol
SMILESCCc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C8H6Cl4O/c1-2-3-4(9)5(10)6(11)7(12)8(3)13/h13H,2H2,1H3
InChIKeySWRJGYUREWPYPR-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-ethylphenol?
The IUPAC name of 2,3,4,5-tetrachloro-6-ethylphenol (CID 18953189) is 2,3,4,5-tetrachloro-6-ethylphenol.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-ethylphenol?
The canonical SMILES for 2,3,4,5-tetrachloro-6-ethylphenol is CCc1c(O)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-ethylphenol?
The InChIKey is SWRJGYUREWPYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4O/c1-2-3-4(9)5(10)6(11)7(12)8(3)13/h13H,2H2,1H3.
What are the key properties of 2,3,4,5-tetrachloro-6-ethylphenol?
2,3,4,5-tetrachloro-6-ethylphenol has a molecular weight of 259.95 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-ethylphenol is sourced from PubChem (CID 18953189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).