3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol

C9H10BrFO3 — CID 117416440

IUPAC3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(C(C)O)c1Br
InChIInChI=1S/C9H10BrFO3/c1-4(12)7-5(11)3-6(13)9(14-2)8(7)10/h3-4,12-13H,1-2H3
InChIKeyHZLYZXNNCGLQIJ-UHFFFAOYSA-N
MW265.08 g/mol
LogP2.36
Rot. Bonds2

About 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol

3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol (PubChem CID 117416440) has the molecular formula C9H10BrFO3 and a molecular weight of 265.08 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol.

Molecular Properties

Compound Name3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
PubChem CID117416440
Molecular FormulaC9H10BrFO3
Molecular Weight265.08 g/mol
Exact Mass263.98
IUPAC Name3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(C(C)O)c1Br
InChIInChI=1S/C9H10BrFO3/c1-4(12)7-5(11)3-6(13)9(14-2)8(7)10/h3-4,12-13H,1-2H3
InChIKeyHZLYZXNNCGLQIJ-UHFFFAOYSA-N
XLogP2.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-fluoro-4-(1-hydroxyethyl)-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

methyl 2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117493779
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)acetonitrile
CID 117403738
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-(6-bromo-2-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475580
methyl 2-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 117475569
4-[(E)-3-aminoprop-1-enyl]-3-bromo-5-fluoro-2-methoxyphenol
CID 117441571
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol?
The IUPAC name of 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol (CID 117416440) is 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol.
What is the SMILES notation for 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol?
The canonical SMILES for 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol is COc1c(O)cc(F)c(C(C)O)c1Br.
What is the InChIKey of 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol?
The InChIKey is HZLYZXNNCGLQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO3/c1-4(12)7-5(11)3-6(13)9(14-2)8(7)10/h3-4,12-13H,1-2H3.
What are the key properties of 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol?
3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol has a molecular weight of 265.08 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol is sourced from PubChem (CID 117416440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).