2,3,4-trichloro-6-methoxyphenol

C7H5Cl3O2 — CID 17577

IUPAC2,3,4-trichloro-6-methoxyphenol
SMILESCOc1cc(Cl)c(Cl)c(Cl)c1O
InChIInChI=1S/C7H5Cl3O2/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2,11H,1H3
InChIKeyNIAJPNQTKGWEOI-UHFFFAOYSA-N
MW227.47 g/mol
LogP3.36
Rot. Bonds1

About 2,3,4-trichloro-6-methoxyphenol

2,3,4-trichloro-6-methoxyphenol (PubChem CID 17577) has the molecular formula C7H5Cl3O2 and a molecular weight of 227.47 g/mol. Its IUPAC name is 2,3,4-trichloro-6-methoxyphenol.

Molecular Properties

Compound Name2,3,4-trichloro-6-methoxyphenol
PubChem CID17577
Molecular FormulaC7H5Cl3O2
Molecular Weight227.47 g/mol
Exact Mass225.94
IUPAC Name2,3,4-trichloro-6-methoxyphenol
SMILESCOc1cc(Cl)c(Cl)c(Cl)c1O
InChIInChI=1S/C7H5Cl3O2/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2,11H,1H3
InChIKeyNIAJPNQTKGWEOI-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-6-methoxyphenol?
The IUPAC name of 2,3,4-trichloro-6-methoxyphenol (CID 17577) is 2,3,4-trichloro-6-methoxyphenol.
What is the SMILES notation for 2,3,4-trichloro-6-methoxyphenol?
The canonical SMILES for 2,3,4-trichloro-6-methoxyphenol is COc1cc(Cl)c(Cl)c(Cl)c1O.
What is the InChIKey of 2,3,4-trichloro-6-methoxyphenol?
The InChIKey is NIAJPNQTKGWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O2/c1-12-4-2-3(8)5(9)6(10)7(4)11/h2,11H,1H3.
What are the key properties of 2,3,4-trichloro-6-methoxyphenol?
2,3,4-trichloro-6-methoxyphenol has a molecular weight of 227.47 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-6-methoxyphenol is sourced from PubChem (CID 17577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).