2-bromo-3-chloro-4-fluoro-6-methylphenol

C7H5BrClFO — CID 84701471

IUPAC2-bromo-3-chloro-4-fluoro-6-methylphenol
SMILESCc1cc(F)c(Cl)c(Br)c1O
InChIInChI=1S/C7H5BrClFO/c1-3-2-4(10)6(9)5(8)7(3)11/h2,11H,1H3
InChIKeyYCNODLSNTNNKHD-UHFFFAOYSA-N
MW239.47 g/mol
LogP3.26
Rot. Bonds

About 2-bromo-3-chloro-4-fluoro-6-methylphenol

2-bromo-3-chloro-4-fluoro-6-methylphenol (PubChem CID 84701471) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is 2-bromo-3-chloro-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-bromo-3-chloro-4-fluoro-6-methylphenol
PubChem CID84701471
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name2-bromo-3-chloro-4-fluoro-6-methylphenol
SMILESCc1cc(F)c(Cl)c(Br)c1O
InChIInChI=1S/C7H5BrClFO/c1-3-2-4(10)6(9)5(8)7(3)11/h2,11H,1H3
InChIKeyYCNODLSNTNNKHD-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-bromo-3-chloro-4-fluoro-6-methylphenol?
The IUPAC name of 2-bromo-3-chloro-4-fluoro-6-methylphenol (CID 84701471) is 2-bromo-3-chloro-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-bromo-3-chloro-4-fluoro-6-methylphenol?
The canonical SMILES for 2-bromo-3-chloro-4-fluoro-6-methylphenol is Cc1cc(F)c(Cl)c(Br)c1O.
What is the InChIKey of 2-bromo-3-chloro-4-fluoro-6-methylphenol?
The InChIKey is YCNODLSNTNNKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c1-3-2-4(10)6(9)5(8)7(3)11/h2,11H,1H3.
What are the key properties of 2-bromo-3-chloro-4-fluoro-6-methylphenol?
2-bromo-3-chloro-4-fluoro-6-methylphenol has a molecular weight of 239.47 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-4-fluoro-6-methylphenol is sourced from PubChem (CID 84701471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).