1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol

C9H9BrClFO3S — CID 106765069

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C9H9BrClFO3S/c1-16(14,15)4-7(13)5-2-3-6(10)8(11)9(5)12/h2-3,7,13H,4H2,1H3
InChIKeyCMZRZYSWNDXYKM-UHFFFAOYSA-N
MW331.59 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol

1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol (PubChem CID 106765069) has the molecular formula C9H9BrClFO3S and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol
PubChem CID106765069
Molecular FormulaC9H9BrClFO3S
Molecular Weight331.59 g/mol
Exact Mass329.91
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C9H9BrClFO3S/c1-16(14,15)4-7(13)5-2-3-6(10)8(11)9(5)12/h2-3,7,13H,4H2,1H3
InChIKeyCMZRZYSWNDXYKM-UHFFFAOYSA-N
XLogP2.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol 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

1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(tert-butylamino)ethanol
CID 106763745
1-(4-bromo-3-chloro-2-fluorophenyl)-2-pyridin-4-ylethanol
CID 106762011
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 106765598
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106762188
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-fluorophenyl)methanol
CID 106765137

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol (CID 106765069) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol?
The InChIKey is CMZRZYSWNDXYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFO3S/c1-16(14,15)4-7(13)5-2-3-6(10)8(11)9(5)12/h2-3,7,13H,4H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol has a molecular weight of 331.59 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol is sourced from PubChem (CID 106765069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).