2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol

C10H12BrFO3 — CID 117447325

IUPAC2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(F)c(CC(C)O)c(Br)c1O
InChIInChI=1S/C10H12BrFO3/c1-5(13)3-6-7(12)4-8(15-2)10(14)9(6)11/h4-5,13-14H,3H2,1-2H3
InChIKeyVSLHZRGMCIVDJP-UHFFFAOYSA-N
MW279.10 g/mol
LogP2.23
Rot. Bonds3

About 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol

2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol (PubChem CID 117447325) has the molecular formula C10H12BrFO3 and a molecular weight of 279.10 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
PubChem CID117447325
Molecular FormulaC10H12BrFO3
Molecular Weight279.10 g/mol
Exact Mass278.00
IUPAC Name2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
SMILESCOc1cc(F)c(CC(C)O)c(Br)c1O
InChIInChI=1S/C10H12BrFO3/c1-5(13)3-6-7(12)4-8(15-2)10(14)9(6)11/h4-5,13-14H,3H2,1-2H3
InChIKeyVSLHZRGMCIVDJP-UHFFFAOYSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-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

3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811
1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)propan-2-ol
CID 117473006
2,4-difluoro-3-(2-hydroxypropyl)-5-methoxyphenol
CID 117310551
3-bromo-4-(2-hydroxypropyl)-5-methylbenzene-1,2-diol
CID 117406451
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol?
The IUPAC name of 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol (CID 117447325) is 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol is COc1cc(F)c(CC(C)O)c(Br)c1O.
What is the InChIKey of 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol?
The InChIKey is VSLHZRGMCIVDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3/c1-5(13)3-6-7(12)4-8(15-2)10(14)9(6)11/h4-5,13-14H,3H2,1-2H3.
What are the key properties of 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol?
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol has a molecular weight of 279.10 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol is sourced from PubChem (CID 117447325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).