2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol

C12H5Cl5O — CID 644180

IUPAC2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol
SMILESOc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl
InChIInChI=1S/C12H5Cl5O/c13-7-3-5(1-2-9(7)18)6-4-8(14)11(16)12(17)10(6)15/h1-4,18H
InChIKeyCGAILIYIKMFHPA-UHFFFAOYSA-N
MW342.44 g/mol
LogP6.33
Rot. Bonds1

About 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol

2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol (PubChem CID 644180) has the molecular formula C12H5Cl5O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol
PubChem CID644180
Molecular FormulaC12H5Cl5O
Molecular Weight342.44 g/mol
Exact Mass339.88
IUPAC Name2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol
SMILESOc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl
InChIInChI=1S/C12H5Cl5O/c13-7-3-5(1-2-9(7)18)6-4-8(14)11(16)12(17)10(6)15/h1-4,18H
InChIKeyCGAILIYIKMFHPA-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol?
The IUPAC name of 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol (CID 644180) is 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol.
What is the SMILES notation for 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol?
The canonical SMILES for 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol is Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol?
The InChIKey is CGAILIYIKMFHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5O/c13-7-3-5(1-2-9(7)18)6-4-8(14)11(16)12(17)10(6)15/h1-4,18H.
What are the key properties of 2-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol?
2-chloro-4-(2,3,4,5-tetrachlorophenyl)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-chloro-4-(2,3,4,5-tetrachlorophenyl)phenol is sourced from PubChem (CID 644180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).