2,3,6-trichlorophenol

C6H3Cl3O — CID 13618

IUPAC2,3,6-trichlorophenol
SMILESOc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyXGCHAIDDPMFRLJ-UHFFFAOYSA-N
MW197.45 g/mol
LogP3.35
Rot. Bonds

About 2,3,6-trichlorophenol

2,3,6-trichlorophenol (PubChem CID 13618) has the molecular formula C6H3Cl3O and a molecular weight of 197.45 g/mol. Its IUPAC name is 2,3,6-trichlorophenol.

Molecular Properties

Compound Name2,3,6-trichlorophenol
PubChem CID13618
Molecular FormulaC6H3Cl3O
Molecular Weight197.45 g/mol
Exact Mass195.92
IUPAC Name2,3,6-trichlorophenol
SMILESOc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyXGCHAIDDPMFRLJ-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.45
LogP ≤ 53.35
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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Related Compounds

Pentachlorophenol
CID 992
2,4,6-Trichlorophenol
CID 6914
2,4-Dichlorophenol
CID 8449
2,4,5-Trichlorophenol
CID 7271
2,3,4,5-Tetrachlorophenol
CID 21013
Sodium 2,4,5-trichlorophenolate
CID 23662264
2,3,4,6-Tetrachlorophenol
CID 6028
2,3-Dichlorophenol
CID 11334
2,3,4-Trichlorophenol
CID 27582
2,5-Dichlorophenol
CID 66
3,4,5-Trichlorophenol
CID 11859
2,3,5,6-Tetrachlorophenol
CID 13636

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichlorophenol?
The IUPAC name of 2,3,6-trichlorophenol (CID 13618) is 2,3,6-trichlorophenol.
What is the SMILES notation for 2,3,6-trichlorophenol?
The canonical SMILES for 2,3,6-trichlorophenol is Oc1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2,3,6-trichlorophenol?
The InChIKey is XGCHAIDDPMFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H.
What are the key properties of 2,3,6-trichlorophenol?
2,3,6-trichlorophenol has a molecular weight of 197.45 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichlorophenol is sourced from PubChem (CID 13618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).