2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol

C10H12BrFO3 — CID 117447343

IUPAC2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
SMILESCOc1c(Br)cc(CCO)c(OC)c1F
InChIInChI=1S/C10H12BrFO3/c1-14-9-6(3-4-13)5-7(11)10(15-2)8(9)12/h5,13H,3-4H2,1-2H3
InChIKeyHUVAACRLFYVKNI-UHFFFAOYSA-N
MW279.11 g/mol
LogP2.14
Rot. Bonds4

About 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol

2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol (PubChem CID 117447343) has the molecular formula C10H12BrFO3 and a molecular weight of 279.11 g/mol. Its IUPAC name is 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
PubChem CID117447343
Molecular FormulaC10H12BrFO3
Molecular Weight279.11 g/mol
Exact Mass278.00
IUPAC Name2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
SMILESCOc1c(Br)cc(CCO)c(OC)c1F
InChIInChI=1S/C10H12BrFO3/c1-14-9-6(3-4-13)5-7(11)10(15-2)8(9)12/h5,13H,3-4H2,1-2H3
InChIKeyHUVAACRLFYVKNI-UHFFFAOYSA-N
XLogP2.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol 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

2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117488210
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
1-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117466700
2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
3-(5-bromo-2,4-difluoro-3-methoxyphenyl)propanoic acid
CID 117475612
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol (CID 117447343) is 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol is COc1c(Br)cc(CCO)c(OC)c1F.
What is the InChIKey of 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol?
The InChIKey is HUVAACRLFYVKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3/c1-14-9-6(3-4-13)5-7(11)10(15-2)8(9)12/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol?
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol has a molecular weight of 279.11 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117447343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).