3,4,6-tribromo-2-chlorophenol

C6H2Br3ClO — CID 163508440

IUPAC3,4,6-tribromo-2-chlorophenol
SMILESOc1c(Br)cc(Br)c(Br)c1Cl
InChIInChI=1S/C6H2Br3ClO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKeyDAPBVUSMDPEZSP-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.33
Rot. Bonds

About 3,4,6-tribromo-2-chlorophenol

3,4,6-tribromo-2-chlorophenol (PubChem CID 163508440) has the molecular formula C6H2Br3ClO and a molecular weight of 365.25 g/mol. Its IUPAC name is 3,4,6-tribromo-2-chlorophenol.

Molecular Properties

Compound Name3,4,6-tribromo-2-chlorophenol
PubChem CID163508440
Molecular FormulaC6H2Br3ClO
Molecular Weight365.25 g/mol
Exact Mass361.73
IUPAC Name3,4,6-tribromo-2-chlorophenol
SMILESOc1c(Br)cc(Br)c(Br)c1Cl
InChIInChI=1S/C6H2Br3ClO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKeyDAPBVUSMDPEZSP-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,4,6-tribromo-2-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,6-tribromo-2-chlorophenol?
The IUPAC name of 3,4,6-tribromo-2-chlorophenol (CID 163508440) is 3,4,6-tribromo-2-chlorophenol.
What is the SMILES notation for 3,4,6-tribromo-2-chlorophenol?
The canonical SMILES for 3,4,6-tribromo-2-chlorophenol is Oc1c(Br)cc(Br)c(Br)c1Cl.
What is the InChIKey of 3,4,6-tribromo-2-chlorophenol?
The InChIKey is DAPBVUSMDPEZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br3ClO/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H.
What are the key properties of 3,4,6-tribromo-2-chlorophenol?
3,4,6-tribromo-2-chlorophenol has a molecular weight of 365.25 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-tribromo-2-chlorophenol is sourced from PubChem (CID 163508440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).