2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol

C13H12BrFO2 — CID 104800910

IUPAC2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C13H12BrFO2/c1-8-5-6-17-13(8)11(16)7-9-3-2-4-10(15)12(9)14/h2-6,11,16H,7H2,1H3
InChIKeyICJCZNRSBDTFLB-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol

2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol (PubChem CID 104800910) has the molecular formula C13H12BrFO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol
PubChem CID104800910
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
Exact Mass298.00
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C13H12BrFO2/c1-8-5-6-17-13(8)11(16)7-9-3-2-4-10(15)12(9)14/h2-6,11,16H,7H2,1H3
InChIKeyICJCZNRSBDTFLB-UHFFFAOYSA-N
XLogP3.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017347
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
1-(3-methylfuran-2-yl)-2-phenylethanol
CID 63016431
2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115826420
2-(2,6-dichlorophenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800869
2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol
CID 102924092
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800627
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503
1-(2-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
3-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481111
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105118256
2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
CID 112735961

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol (CID 104800910) is 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol is Cc1ccoc1C(O)Cc1cccc(F)c1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol?
The InChIKey is ICJCZNRSBDTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2/c1-8-5-6-17-13(8)11(16)7-9-3-2-4-10(15)12(9)14/h2-6,11,16H,7H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol has a molecular weight of 299.14 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol is sourced from PubChem (CID 104800910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).