2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol

C13H12BrFO2 — CID 65150812

IUPAC2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2cc(F)ccc2Br)o1
InChIInChI=1S/C13H12BrFO2/c1-8-2-5-13(17-8)12(16)7-9-6-10(15)3-4-11(9)14/h2-6,12,16H,7H2,1H3
InChIKeyTUUFUXGQPZYQLM-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol (PubChem CID 65150812) has the molecular formula C13H12BrFO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
PubChem CID65150812
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
Exact Mass298.00
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2cc(F)ccc2Br)o1
InChIInChI=1S/C13H12BrFO2/c1-8-2-5-13(17-8)12(16)7-9-6-10(15)3-4-11(9)14/h2-6,12,16H,7H2,1H3
InChIKeyTUUFUXGQPZYQLM-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

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843716
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CID 62608724
2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
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2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
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[2-(2-bromo-4-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105296699
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 113451254
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
CID 62606118
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
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1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol (CID 65150812) is 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol is Cc1ccc(C(O)Cc2cc(F)ccc2Br)o1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol?
The InChIKey is TUUFUXGQPZYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2/c1-8-2-5-13(17-8)12(16)7-9-6-10(15)3-4-11(9)14/h2-6,12,16H,7H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(5-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-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol is sourced from PubChem (CID 65150812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).