2-chloro-6-(2,3,6-trichlorophenyl)phenol

C12H6Cl4O — CID 134620442

IUPAC2-chloro-6-(2,3,6-trichlorophenyl)phenol
SMILESOc1c(Cl)cccc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl4O/c13-7-4-5-8(14)11(16)10(7)6-2-1-3-9(15)12(6)17/h1-5,17H
InChIKeySGCVZCXRIUNCSL-UHFFFAOYSA-N
MW307.99 g/mol
LogP5.67
Rot. Bonds1

About 2-chloro-6-(2,3,6-trichlorophenyl)phenol

2-chloro-6-(2,3,6-trichlorophenyl)phenol (PubChem CID 134620442) has the molecular formula C12H6Cl4O and a molecular weight of 307.99 g/mol. Its IUPAC name is 2-chloro-6-(2,3,6-trichlorophenyl)phenol.

Molecular Properties

Compound Name2-chloro-6-(2,3,6-trichlorophenyl)phenol
PubChem CID134620442
Molecular FormulaC12H6Cl4O
Molecular Weight307.99 g/mol
Exact Mass305.92
IUPAC Name2-chloro-6-(2,3,6-trichlorophenyl)phenol
SMILESOc1c(Cl)cccc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C12H6Cl4O/c13-7-4-5-8(14)11(16)10(7)6-2-1-3-9(15)12(6)17/h1-5,17H
InChIKeySGCVZCXRIUNCSL-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.99
LogP ≤ 55.67
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

2-chloro-6-(2,3,6-trichlorophenyl)benzamide
CID 134622714
2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate
CID 138395099
3,4,5-trichlorofluoren-9-one
CID 82579530
3-chloro-2-(2-chlorophenyl)phenol
CID 69117513
1,2,4-trichloro-3-[3-(difluoromethyl)-2-fluorophenyl]benzene
CID 134622465
3-chlorobenzene-1,2-diol;hydroiodide
CID 70006724
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
2,3,5-trichloro-4-(2,6-dichlorophenyl)phenol
CID 11954040
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
potassium;2,3-dichlorophenol;hydride
CID 174676852
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol
CID 87916879

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3,6-trichlorophenyl)phenol?
The IUPAC name of 2-chloro-6-(2,3,6-trichlorophenyl)phenol (CID 134620442) is 2-chloro-6-(2,3,6-trichlorophenyl)phenol.
What is the SMILES notation for 2-chloro-6-(2,3,6-trichlorophenyl)phenol?
The canonical SMILES for 2-chloro-6-(2,3,6-trichlorophenyl)phenol is Oc1c(Cl)cccc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2-chloro-6-(2,3,6-trichlorophenyl)phenol?
The InChIKey is SGCVZCXRIUNCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4O/c13-7-4-5-8(14)11(16)10(7)6-2-1-3-9(15)12(6)17/h1-5,17H.
What are the key properties of 2-chloro-6-(2,3,6-trichlorophenyl)phenol?
2-chloro-6-(2,3,6-trichlorophenyl)phenol has a molecular weight of 307.99 g/mol, XLogP of 5.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3,6-trichlorophenyl)phenol is sourced from PubChem (CID 134620442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).