4-bromo-2-methoxy-6-methylphenol

C8H9BrO2 — CID 11252922

IUPAC4-bromo-2-methoxy-6-methylphenol
SMILESCOc1cc(Br)cc(C)c1O
InChIInChI=1S/C8H9BrO2/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,10H,1-2H3
InChIKeyUGZGMKGTJRTCFV-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.47
Rot. Bonds1

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

4-bromo-2-methoxy-6-methylphenol (PubChem CID 11252922) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-methylphenol
PubChem CID11252922
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name4-bromo-2-methoxy-6-methylphenol
SMILESCOc1cc(Br)cc(C)c1O
InChIInChI=1S/C8H9BrO2/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,10H,1-2H3
InChIKeyUGZGMKGTJRTCFV-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-methylphenol?
The IUPAC name of 4-bromo-2-methoxy-6-methylphenol (CID 11252922) is 4-bromo-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-methylphenol?
The canonical SMILES for 4-bromo-2-methoxy-6-methylphenol is COc1cc(Br)cc(C)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-methylphenol?
The InChIKey is UGZGMKGTJRTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4,10H,1-2H3.
What are the key properties of 4-bromo-2-methoxy-6-methylphenol?
4-bromo-2-methoxy-6-methylphenol has a molecular weight of 217.06 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-methylphenol is sourced from PubChem (CID 11252922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).