4-bromo-2-(methoxymethyl)-3-methylphenol

C9H11BrO2 — CID 21099368

IUPAC4-bromo-2-(methoxymethyl)-3-methylphenol
SMILESCOCc1c(O)ccc(Br)c1C
InChIInChI=1S/C9H11BrO2/c1-6-7(5-12-2)9(11)4-3-8(6)10/h3-4,11H,5H2,1-2H3
InChIKeyZUEMEBHHOQOBKB-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.61
Rot. Bonds2

About 4-bromo-2-(methoxymethyl)-3-methylphenol

4-bromo-2-(methoxymethyl)-3-methylphenol (PubChem CID 21099368) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethyl)-3-methylphenol.

Molecular Properties

Compound Name4-bromo-2-(methoxymethyl)-3-methylphenol
PubChem CID21099368
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name4-bromo-2-(methoxymethyl)-3-methylphenol
SMILESCOCc1c(O)ccc(Br)c1C
InChIInChI=1S/C9H11BrO2/c1-6-7(5-12-2)9(11)4-3-8(6)10/h3-4,11H,5H2,1-2H3
InChIKeyZUEMEBHHOQOBKB-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethyl)-3-methylphenol?
The IUPAC name of 4-bromo-2-(methoxymethyl)-3-methylphenol (CID 21099368) is 4-bromo-2-(methoxymethyl)-3-methylphenol.
What is the SMILES notation for 4-bromo-2-(methoxymethyl)-3-methylphenol?
The canonical SMILES for 4-bromo-2-(methoxymethyl)-3-methylphenol is COCc1c(O)ccc(Br)c1C.
What is the InChIKey of 4-bromo-2-(methoxymethyl)-3-methylphenol?
The InChIKey is ZUEMEBHHOQOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-6-7(5-12-2)9(11)4-3-8(6)10/h3-4,11H,5H2,1-2H3.
What are the key properties of 4-bromo-2-(methoxymethyl)-3-methylphenol?
4-bromo-2-(methoxymethyl)-3-methylphenol has a molecular weight of 231.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methoxymethyl)-3-methylphenol is sourced from PubChem (CID 21099368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).