2,3,5-tribromo-4-chloro-6-methylphenol

C7H4Br3ClO — CID 3019467

IUPAC2,3,5-tribromo-4-chloro-6-methylphenol
SMILESCc1c(O)c(Br)c(Br)c(Cl)c1Br
InChIInChI=1S/C7H4Br3ClO/c1-2-3(8)6(11)4(9)5(10)7(2)12/h12H,1H3
InChIKeyDUSUUBJAFMIHQB-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.64
Rot. Bonds

About 2,3,5-tribromo-4-chloro-6-methylphenol

2,3,5-tribromo-4-chloro-6-methylphenol (PubChem CID 3019467) has the molecular formula C7H4Br3ClO and a molecular weight of 379.27 g/mol. Its IUPAC name is 2,3,5-tribromo-4-chloro-6-methylphenol.

Molecular Properties

Compound Name2,3,5-tribromo-4-chloro-6-methylphenol
PubChem CID3019467
Molecular FormulaC7H4Br3ClO
Molecular Weight379.27 g/mol
Exact Mass375.75
IUPAC Name2,3,5-tribromo-4-chloro-6-methylphenol
SMILESCc1c(O)c(Br)c(Br)c(Cl)c1Br
InChIInChI=1S/C7H4Br3ClO/c1-2-3(8)6(11)4(9)5(10)7(2)12/h12H,1H3
InChIKeyDUSUUBJAFMIHQB-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tribromo-4-chloro-6-methylphenol?
The IUPAC name of 2,3,5-tribromo-4-chloro-6-methylphenol (CID 3019467) is 2,3,5-tribromo-4-chloro-6-methylphenol.
What is the SMILES notation for 2,3,5-tribromo-4-chloro-6-methylphenol?
The canonical SMILES for 2,3,5-tribromo-4-chloro-6-methylphenol is Cc1c(O)c(Br)c(Br)c(Cl)c1Br.
What is the InChIKey of 2,3,5-tribromo-4-chloro-6-methylphenol?
The InChIKey is DUSUUBJAFMIHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3ClO/c1-2-3(8)6(11)4(9)5(10)7(2)12/h12H,1H3.
What are the key properties of 2,3,5-tribromo-4-chloro-6-methylphenol?
2,3,5-tribromo-4-chloro-6-methylphenol has a molecular weight of 379.27 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tribromo-4-chloro-6-methylphenol is sourced from PubChem (CID 3019467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).