2,3,4,5-tetrachlorophenol

C6H2Cl4O — CID 21013

IUPAC2,3,4,5-tetrachlorophenol
SMILESOc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
InChIKeyRULKYXXCCZZKDZ-UHFFFAOYSA-N
MW231.89 g/mol
LogP4.01
Rot. Bonds

About 2,3,4,5-tetrachlorophenol

2,3,4,5-tetrachlorophenol (PubChem CID 21013) has the molecular formula C6H2Cl4O and a molecular weight of 231.89 g/mol. Its IUPAC name is 2,3,4,5-tetrachlorophenol.

Molecular Properties

Compound Name2,3,4,5-tetrachlorophenol
PubChem CID21013
Molecular FormulaC6H2Cl4O
Molecular Weight231.89 g/mol
Exact Mass229.89
IUPAC Name2,3,4,5-tetrachlorophenol
SMILESOc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
InChIKeyRULKYXXCCZZKDZ-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.89
LogP ≤ 54.01
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-tetrachlorophenol?
The IUPAC name of 2,3,4,5-tetrachlorophenol (CID 21013) is 2,3,4,5-tetrachlorophenol.
What is the SMILES notation for 2,3,4,5-tetrachlorophenol?
The canonical SMILES for 2,3,4,5-tetrachlorophenol is Oc1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachlorophenol?
The InChIKey is RULKYXXCCZZKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H.
What are the key properties of 2,3,4,5-tetrachlorophenol?
2,3,4,5-tetrachlorophenol has a molecular weight of 231.89 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachlorophenol is sourced from PubChem (CID 21013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).