1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol

C11H15BrO3 — CID 106859167

IUPAC1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1ccoc1Br
InChIInChI=1S/C11H15BrO3/c12-11-9(3-6-15-11)10(13)7-8-1-4-14-5-2-8/h3,6,8,10,13H,1-2,4-5,7H2
InChIKeyJENNHIYMXUNBRW-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol

1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol (PubChem CID 106859167) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
PubChem CID106859167
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)c1ccoc1Br
InChIInChI=1S/C11H15BrO3/c12-11-9(3-6-15-11)10(13)7-8-1-4-14-5-2-8/h3,6,8,10,13H,1-2,4-5,7H2
InChIKeyJENNHIYMXUNBRW-UHFFFAOYSA-N
XLogP2.89
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-(oxan-4-yl)ethanol
CID 106886280
(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine
CID 106857614
1-(2-bromofuran-3-yl)-2-methoxyethanol
CID 106859379
1-(2-fluoro-5-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789568
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
CID 115789569
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
CID 102831550
2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
CID 62608022
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115789572
1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
CID 65150488
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745
1-(2-bromofuran-3-yl)oct-7-en-1-ol
CID 107012254

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol (CID 106859167) is 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol is OC(CC1CCOCC1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol?
The InChIKey is JENNHIYMXUNBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c12-11-9(3-6-15-11)10(13)7-8-1-4-14-5-2-8/h3,6,8,10,13H,1-2,4-5,7H2.
What are the key properties of 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol?
1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol has a molecular weight of 275.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 106859167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).