2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol

C12H5Cl5O — CID 11954040

IUPAC2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
SMILESOc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl5O/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(18)11(16)12(10)17/h1-4,18H
InChIKeyWSDQWYJHILVUQZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP6.33
Rot. Bonds1

About 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol

2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol (PubChem CID 11954040) has the molecular formula C12H5Cl5O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol.

Molecular Properties

Compound Name2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
PubChem CID11954040
Molecular FormulaC12H5Cl5O
Molecular Weight342.44 g/mol
Exact Mass339.88
IUPAC Name2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
SMILESOc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl5O/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(18)11(16)12(10)17/h1-4,18H
InChIKeyWSDQWYJHILVUQZ-UHFFFAOYSA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,6-dichlorophenyl)phenol?
The IUPAC name of 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol (CID 11954040) is 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol.
What is the SMILES notation for 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol?
The canonical SMILES for 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol is Oc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol?
The InChIKey is WSDQWYJHILVUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5O/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(18)11(16)12(10)17/h1-4,18H.
What are the key properties of 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol?
2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol has a molecular weight of 342.44 g/mol, XLogP of 6.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol is sourced from PubChem (CID 11954040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).