2,3-dichlorophenol;2,3,4,5-tetrachlorophenol

C12H6Cl6O2 — CID 166770259

IUPAC2,3-dichlorophenol;2,3,4,5-tetrachlorophenol
SMILESOc1cc(Cl)c(Cl)c(Cl)c1Cl.Oc1cccc(Cl)c1Cl
InChIInChI=1S/C6H2Cl4O.C6H4Cl2O/c7-2-1-3(11)5(9)6(10)4(2)8;7-4-2-1-3-5(9)6(4)8/h1,11H;1-3,9H
InChIKeyDIQDGHPXXBFSQN-UHFFFAOYSA-N
MW394.90 g/mol
LogP6.70
Rot. Bonds

About 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol

2,3-dichlorophenol;2,3,4,5-tetrachlorophenol (PubChem CID 166770259) has the molecular formula C12H6Cl6O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol.

Molecular Properties

Compound Name2,3-dichlorophenol;2,3,4,5-tetrachlorophenol
PubChem CID166770259
Molecular FormulaC12H6Cl6O2
Molecular Weight394.90 g/mol
Exact Mass391.85
IUPAC Name2,3-dichlorophenol;2,3,4,5-tetrachlorophenol
SMILESOc1cc(Cl)c(Cl)c(Cl)c1Cl.Oc1cccc(Cl)c1Cl
InChIInChI=1S/C6H2Cl4O.C6H4Cl2O/c7-2-1-3(11)5(9)6(10)4(2)8;7-4-2-1-3-5(9)6(4)8/h1,11H;1-3,9H
InChIKeyDIQDGHPXXBFSQN-UHFFFAOYSA-N
XLogP6.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

potassium;2,3-dichlorophenol;hydride
CID 174676852
2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
CID 11954040
CID 67544547
CID 67544547
azanylidyneazanium;2,3-dichlorophenol;tetrafluoroborate
CID 87667049
1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol
CID 161098712
3,4,5-trichloro-2-(2,3-dichloro-4-hydroxyphenyl)phenol
CID 22178272
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
2,3-dichloronaphthalene-1,4-dione;2,3-dichlorophenol
CID 175429838
1,2,3,4,5-pentachlorobenzene;phenol
CID 159935544
phenol;2,3,5-trichlorophenol
CID 172810083
1,4-dichloronaphthalen-2-ol
CID 12578005
aluminum;hydron;tetrakis(2,3,6-trichloro-5-hydroxyphenolate)
CID 173337165

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol?
The IUPAC name of 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol (CID 166770259) is 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol.
What is the SMILES notation for 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol?
The canonical SMILES for 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol is Oc1cc(Cl)c(Cl)c(Cl)c1Cl.Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol?
The InChIKey is DIQDGHPXXBFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4O.C6H4Cl2O/c7-2-1-3(11)5(9)6(10)4(2)8;7-4-2-1-3-5(9)6(4)8/h1,11H;1-3,9H.
What are the key properties of 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol?
2,3-dichlorophenol;2,3,4,5-tetrachlorophenol has a molecular weight of 394.90 g/mol, XLogP of 6.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorophenol;2,3,4,5-tetrachlorophenol is sourced from PubChem (CID 166770259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).