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

C8H8BrClO2 — CID 84707474

IUPAC2-bromo-3-chloro-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(Br)c1Cl
InChIInChI=1S/C8H8BrClO2/c1-4-3-5(12-2)7(10)6(9)8(4)11/h3,11H,1-2H3
InChIKeyVKQCSEVHIJANRV-UHFFFAOYSA-N
MW251.51 g/mol
LogP3.13
Rot. Bonds1

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

2-bromo-3-chloro-4-methoxy-6-methylphenol (PubChem CID 84707474) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 2-bromo-3-chloro-4-methoxy-6-methylphenol.

Molecular Properties

Compound Name2-bromo-3-chloro-4-methoxy-6-methylphenol
PubChem CID84707474
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name2-bromo-3-chloro-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(Br)c1Cl
InChIInChI=1S/C8H8BrClO2/c1-4-3-5(12-2)7(10)6(9)8(4)11/h3,11H,1-2H3
InChIKeyVKQCSEVHIJANRV-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-4-methoxy-6-methylphenol?
The IUPAC name of 2-bromo-3-chloro-4-methoxy-6-methylphenol (CID 84707474) is 2-bromo-3-chloro-4-methoxy-6-methylphenol.
What is the SMILES notation for 2-bromo-3-chloro-4-methoxy-6-methylphenol?
The canonical SMILES for 2-bromo-3-chloro-4-methoxy-6-methylphenol is COc1cc(C)c(O)c(Br)c1Cl.
What is the InChIKey of 2-bromo-3-chloro-4-methoxy-6-methylphenol?
The InChIKey is VKQCSEVHIJANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c1-4-3-5(12-2)7(10)6(9)8(4)11/h3,11H,1-2H3.
What are the key properties of 2-bromo-3-chloro-4-methoxy-6-methylphenol?
2-bromo-3-chloro-4-methoxy-6-methylphenol has a molecular weight of 251.51 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-4-methoxy-6-methylphenol is sourced from PubChem (CID 84707474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).