2-bromo-4-[hydroxy(methoxy)methyl]phenol

C8H9BrO3 — CID 139576076

IUPAC2-bromo-4-[hydroxy(methoxy)methyl]phenol
SMILESCOC(O)c1ccc(O)c(Br)c1
InChIInChI=1S/C8H9BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,8,10-11H,1H3
InChIKeyBQMPBZNMGCCCKC-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.79
Rot. Bonds2

About 2-bromo-4-[hydroxy(methoxy)methyl]phenol

2-bromo-4-[hydroxy(methoxy)methyl]phenol (PubChem CID 139576076) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-bromo-4-[hydroxy(methoxy)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[hydroxy(methoxy)methyl]phenol
PubChem CID139576076
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name2-bromo-4-[hydroxy(methoxy)methyl]phenol
SMILESCOC(O)c1ccc(O)c(Br)c1
InChIInChI=1S/C8H9BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,8,10-11H,1H3
InChIKeyBQMPBZNMGCCCKC-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-bromo-4-[hydroxy(methoxy)methyl]phenol 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-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 83952334
3-(3-bromo-4-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871320
2-bromo-4-[1-(ethylamino)ethyl]phenol
CID 62910509
4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride
CID 171204287
(3-chloro-4-fluorophenyl)-methoxymethanol
CID 175241908
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
1-[3-[hydroxy(methoxy)methyl]phenyl]ethanol
CID 174484304

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[hydroxy(methoxy)methyl]phenol?
The IUPAC name of 2-bromo-4-[hydroxy(methoxy)methyl]phenol (CID 139576076) is 2-bromo-4-[hydroxy(methoxy)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[hydroxy(methoxy)methyl]phenol?
The canonical SMILES for 2-bromo-4-[hydroxy(methoxy)methyl]phenol is COC(O)c1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[hydroxy(methoxy)methyl]phenol?
The InChIKey is BQMPBZNMGCCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,8,10-11H,1H3.
What are the key properties of 2-bromo-4-[hydroxy(methoxy)methyl]phenol?
2-bromo-4-[hydroxy(methoxy)methyl]phenol has a molecular weight of 233.06 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[hydroxy(methoxy)methyl]phenol is sourced from PubChem (CID 139576076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).