4-bromo-5-(hydroxymethyl)-2-methoxyphenol

C8H9BrO3 — CID 637415

IUPAC4-bromo-5-(hydroxymethyl)-2-methoxyphenol
SMILESCOc1cc(Br)c(CO)cc1O
InChIInChI=1S/C8H9BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-3,10-11H,4H2,1H3
InChIKeyNYJGSUWOONXWMP-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.66
Rot. Bonds2

About 4-bromo-5-(hydroxymethyl)-2-methoxyphenol

4-bromo-5-(hydroxymethyl)-2-methoxyphenol (PubChem CID 637415) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-bromo-5-(hydroxymethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-bromo-5-(hydroxymethyl)-2-methoxyphenol
PubChem CID637415
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name4-bromo-5-(hydroxymethyl)-2-methoxyphenol
SMILESCOc1cc(Br)c(CO)cc1O
InChIInChI=1S/C8H9BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-3,10-11H,4H2,1H3
InChIKeyNYJGSUWOONXWMP-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

Analyze 4-bromo-5-(hydroxymethyl)-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
3-(2-bromo-5-hydroxy-4-methoxyphenyl)propanal
CID 117400806
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
5-(2-aminobutyl)-4-bromo-2-methoxyphenol
CID 170888665
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
[2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol
CID 118148163
4-bromo-5-[[2-[(4-hydroxyphenyl)methyl]phenyl]methyl]-2-methoxyphenol
CID 16638007
4-bromo-2-fluoro-5-(hydroxymethyl)phenol
CID 66726435
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-4-bromo-2-methoxyphenol
CID 120780657

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(hydroxymethyl)-2-methoxyphenol?
The IUPAC name of 4-bromo-5-(hydroxymethyl)-2-methoxyphenol (CID 637415) is 4-bromo-5-(hydroxymethyl)-2-methoxyphenol.
What is the SMILES notation for 4-bromo-5-(hydroxymethyl)-2-methoxyphenol?
The canonical SMILES for 4-bromo-5-(hydroxymethyl)-2-methoxyphenol is COc1cc(Br)c(CO)cc1O.
What is the InChIKey of 4-bromo-5-(hydroxymethyl)-2-methoxyphenol?
The InChIKey is NYJGSUWOONXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 4-bromo-5-(hydroxymethyl)-2-methoxyphenol?
4-bromo-5-(hydroxymethyl)-2-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-5-(hydroxymethyl)-2-methoxyphenol is sourced from PubChem (CID 637415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).