2-chlorophenol;2,4,6-trichlorophenol

C12H8Cl4O2 — CID 158985831

IUPAC2-chlorophenol;2,4,6-trichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1Cl.Oc1ccccc1Cl
InChIInChI=1S/C6H3Cl3O.C6H5ClO/c7-3-1-4(8)6(10)5(9)2-3;7-5-3-1-2-4-6(5)8/h1-2,10H;1-4,8H
InChIKeyJPODYIGPCZZLAP-UHFFFAOYSA-N
MW326.01 g/mol
LogP5.40
Rot. Bonds

About 2-chlorophenol;2,4,6-trichlorophenol

2-chlorophenol;2,4,6-trichlorophenol (PubChem CID 158985831) has the molecular formula C12H8Cl4O2 and a molecular weight of 326.01 g/mol. Its IUPAC name is 2-chlorophenol;2,4,6-trichlorophenol.

Molecular Properties

Compound Name2-chlorophenol;2,4,6-trichlorophenol
PubChem CID158985831
Molecular FormulaC12H8Cl4O2
Molecular Weight326.01 g/mol
Exact Mass323.93
IUPAC Name2-chlorophenol;2,4,6-trichlorophenol
SMILESOc1c(Cl)cc(Cl)cc1Cl.Oc1ccccc1Cl
InChIInChI=1S/C6H3Cl3O.C6H5ClO/c7-3-1-4(8)6(10)5(9)2-3;7-5-3-1-2-4-6(5)8/h1-2,10H;1-4,8H
InChIKeyJPODYIGPCZZLAP-UHFFFAOYSA-N
XLogP5.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.01
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-chlorophenol);tungsten
CID 88625581
1,1'-biphenyl;2-chlorophenol
CID 174555563
carbonic acid;2-chlorophenol
CID 163958261
2,4-dichlorophenol;phenol
CID 67451432
2,4-dichloro-6-(2-phenylethynyl)phenol
CID 11499915
phenol;2,3,5-trichlorophenol
CID 172810083
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
2,4-dichloro-6-(1H-indol-2-yl)phenol
CID 142650101
4-(4-aminophenyl)aniline;2-chlorophenol
CID 19386561
CID 134902191
CID 134902191
6,8-dichloronaphthalen-1-ol
CID 150488355

Frequently Asked Questions

What is the IUPAC name of 2-chlorophenol;2,4,6-trichlorophenol?
The IUPAC name of 2-chlorophenol;2,4,6-trichlorophenol (CID 158985831) is 2-chlorophenol;2,4,6-trichlorophenol.
What is the SMILES notation for 2-chlorophenol;2,4,6-trichlorophenol?
The canonical SMILES for 2-chlorophenol;2,4,6-trichlorophenol is Oc1c(Cl)cc(Cl)cc1Cl.Oc1ccccc1Cl.
What is the InChIKey of 2-chlorophenol;2,4,6-trichlorophenol?
The InChIKey is JPODYIGPCZZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O.C6H5ClO/c7-3-1-4(8)6(10)5(9)2-3;7-5-3-1-2-4-6(5)8/h1-2,10H;1-4,8H.
What are the key properties of 2-chlorophenol;2,4,6-trichlorophenol?
2-chlorophenol;2,4,6-trichlorophenol has a molecular weight of 326.01 g/mol, XLogP of 5.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenol;2,4,6-trichlorophenol is sourced from PubChem (CID 158985831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).