3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol

C12H5Cl5O2 — CID 22178272

IUPAC3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2c(O)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl5O2/c13-5-3-7(19)8(12(17)10(5)15)4-1-2-6(18)11(16)9(4)14/h1-3,18-19H
InChIKeyACCPQAHIHCHHPL-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.03
Rot. Bonds1

About 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol

3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol (PubChem CID 22178272) has the molecular formula C12H5Cl5O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol
PubChem CID22178272
Molecular FormulaC12H5Cl5O2
Molecular Weight358.44 g/mol
Exact Mass355.87
IUPAC Name3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol
SMILESOc1ccc(-c2c(O)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12H5Cl5O2/c13-5-3-7(19)8(12(17)10(5)15)4-1-2-6(18)11(16)9(4)14/h1-3,18-19H
InChIKeyACCPQAHIHCHHPL-UHFFFAOYSA-N
XLogP6.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol?
The IUPAC name of 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol (CID 22178272) is 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol.
What is the SMILES notation for 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol?
The canonical SMILES for 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol is Oc1ccc(-c2c(O)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol?
The InChIKey is ACCPQAHIHCHHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5O2/c13-5-3-7(19)8(12(17)10(5)15)4-1-2-6(18)11(16)9(4)14/h1-3,18-19H.
What are the key properties of 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol?
3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol has a molecular weight of 358.44 g/mol, XLogP of 6.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol is sourced from PubChem (CID 22178272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).