4-bromo-2-(hydroxymethyl)-6-methoxyphenol

C8H9BrO3 — CID 894092

IUPAC4-bromo-2-(hydroxymethyl)-6-methoxyphenol
SMILESCOc1cc(Br)cc(CO)c1O
InChIInChI=1S/C8H9BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3,10-11H,4H2,1H3
InChIKeyUBLQIISPEAEAIX-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.66
Rot. Bonds2

About 4-bromo-2-(hydroxymethyl)-6-methoxyphenol

4-bromo-2-(hydroxymethyl)-6-methoxyphenol (PubChem CID 894092) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-bromo-2-(hydroxymethyl)-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-(hydroxymethyl)-6-methoxyphenol
PubChem CID894092
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name4-bromo-2-(hydroxymethyl)-6-methoxyphenol
SMILESCOc1cc(Br)cc(CO)c1O
InChIInChI=1S/C8H9BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3,10-11H,4H2,1H3
InChIKeyUBLQIISPEAEAIX-UHFFFAOYSA-N
XLogP1.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(hydroxymethyl)-6-methoxyphenol?
The IUPAC name of 4-bromo-2-(hydroxymethyl)-6-methoxyphenol (CID 894092) is 4-bromo-2-(hydroxymethyl)-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-(hydroxymethyl)-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-(hydroxymethyl)-6-methoxyphenol is COc1cc(Br)cc(CO)c1O.
What is the InChIKey of 4-bromo-2-(hydroxymethyl)-6-methoxyphenol?
The InChIKey is UBLQIISPEAEAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 4-bromo-2-(hydroxymethyl)-6-methoxyphenol?
4-bromo-2-(hydroxymethyl)-6-methoxyphenol has a molecular weight of 233.06 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(hydroxymethyl)-6-methoxyphenol is sourced from PubChem (CID 894092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).