2,4,6-trichloro-3,5-dideuteriophenol

C6H3Cl3O — CID 71309017

IUPAC2,4,6-trichloro-3,5-dideuteriophenol
SMILES[2H]c1c(Cl)c([2H])c(Cl)c(O)c1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/i1D,2D
InChIKeyLINPIYWFGCPVIE-QDNHWIQGSA-N
MW199.46 g/mol
LogP3.35
Rot. Bonds

About 2,4,6-trichloro-3,5-dideuteriophenol

2,4,6-trichloro-3,5-dideuteriophenol (PubChem CID 71309017) has the molecular formula C6H3Cl3O and a molecular weight of 199.46 g/mol. Its IUPAC name is 2,4,6-trichloro-3,5-dideuteriophenol.

Molecular Properties

Compound Name2,4,6-trichloro-3,5-dideuteriophenol
PubChem CID71309017
Molecular FormulaC6H3Cl3O
Molecular Weight199.46 g/mol
Exact Mass197.94
IUPAC Name2,4,6-trichloro-3,5-dideuteriophenol
SMILES[2H]c1c(Cl)c([2H])c(Cl)c(O)c1Cl
InChIInChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/i1D,2D
InChIKeyLINPIYWFGCPVIE-QDNHWIQGSA-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 ≤ 500199.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Trichlorophenol
CID 6914
2,4-Dichlorophenol
CID 8449
4-Chlorophenol
CID 4684
2,4,5-Trichlorophenol
CID 7271
2,3,4,5-Tetrachlorophenol
CID 21013
2-Chlorophenol
CID 7245
2,3,4,6-Tetrachlorophenol
CID 6028
2,3-Dichlorophenol
CID 11334
2,3,4-Trichlorophenol
CID 27582
2,3,6-Trichlorophenol
CID 13618
2,5-Dichlorophenol
CID 66
3,4,5-Trichlorophenol
CID 11859

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3,5-dideuteriophenol?
The IUPAC name of 2,4,6-trichloro-3,5-dideuteriophenol (CID 71309017) is 2,4,6-trichloro-3,5-dideuteriophenol.
What is the SMILES notation for 2,4,6-trichloro-3,5-dideuteriophenol?
The canonical SMILES for 2,4,6-trichloro-3,5-dideuteriophenol is [2H]c1c(Cl)c([2H])c(Cl)c(O)c1Cl.
What is the InChIKey of 2,4,6-trichloro-3,5-dideuteriophenol?
The InChIKey is LINPIYWFGCPVIE-QDNHWIQGSA-N. The full InChI is InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H/i1D,2D.
What are the key properties of 2,4,6-trichloro-3,5-dideuteriophenol?
2,4,6-trichloro-3,5-dideuteriophenol has a molecular weight of 199.46 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 2,4,6-trichloro-3,5-dideuteriophenol is sourced from PubChem (CID 71309017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).