2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol

C13H12BrFO2 — CID 113453302

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
SMILESCc1occc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H12BrFO2/c1-8-12(2-3-17-8)13(16)6-9-4-10(14)7-11(15)5-9/h2-5,7,13,16H,6H2,1H3
InChIKeyZNUCKVAXLUAWCQ-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.77
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol (PubChem CID 113453302) has the molecular formula C13H12BrFO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
PubChem CID113453302
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
Exact Mass298.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
SMILESCc1occc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H12BrFO2/c1-8-12(2-3-17-8)13(16)6-9-4-10(14)7-11(15)5-9/h2-5,7,13,16H,6H2,1H3
InChIKeyZNUCKVAXLUAWCQ-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-(3,5-dimethylphenyl)-1-(2-methylfuran-3-yl)ethanol
CID 104789418
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
CID 106886287
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
[2-(3-bromo-5-fluorophenyl)-1-(2-chlorofuran-3-yl)ethyl]hydrazine
CID 106694609
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
2-(3,5-difluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406974

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol (CID 113453302) is 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol is Cc1occc1C(O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol?
The InChIKey is ZNUCKVAXLUAWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2/c1-8-12(2-3-17-8)13(16)6-9-4-10(14)7-11(15)5-9/h2-5,7,13,16H,6H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-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-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol is sourced from PubChem (CID 113453302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).