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

C9H8Cl4O — CID 88821235

IUPAC2,3,5,6-tetrachloro-4-propylphenol
SMILESCCCc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl4O/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h14H,2-3H2,1H3
InChIKeyXEFFWCUHKRCSKS-UHFFFAOYSA-N
MW273.97 g/mol
LogP4.96
Rot. Bonds2

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

2,3,5,6-tetrachloro-4-propylphenol (PubChem CID 88821235) has the molecular formula C9H8Cl4O and a molecular weight of 273.97 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-propylphenol.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-propylphenol
PubChem CID88821235
Molecular FormulaC9H8Cl4O
Molecular Weight273.97 g/mol
Exact Mass271.93
IUPAC Name2,3,5,6-tetrachloro-4-propylphenol
SMILESCCCc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C9H8Cl4O/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h14H,2-3H2,1H3
InChIKeyXEFFWCUHKRCSKS-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.97
LogP ≤ 54.96
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 2,3,5,6-tetrachloro-4-propylphenol?
The IUPAC name of 2,3,5,6-tetrachloro-4-propylphenol (CID 88821235) is 2,3,5,6-tetrachloro-4-propylphenol.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-propylphenol?
The canonical SMILES for 2,3,5,6-tetrachloro-4-propylphenol is CCCc1c(Cl)c(Cl)c(O)c(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-propylphenol?
The InChIKey is XEFFWCUHKRCSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl4O/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h14H,2-3H2,1H3.
What are the key properties of 2,3,5,6-tetrachloro-4-propylphenol?
2,3,5,6-tetrachloro-4-propylphenol has a molecular weight of 273.97 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-propylphenol is sourced from PubChem (CID 88821235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).