1-(2-bromofuran-3-yl)-2-methoxyethanol

C7H9BrO3 — CID 106859379

IUPAC1-(2-bromofuran-3-yl)-2-methoxyethanol
SMILESCOCC(O)c1ccoc1Br
InChIInChI=1S/C7H9BrO3/c1-10-4-6(9)5-2-3-11-7(5)8/h2-3,6,9H,4H2,1H3
InChIKeyWILNVPBHNZBLOD-UHFFFAOYSA-N
MW221.05 g/mol
LogP1.72
Rot. Bonds3

About 1-(2-bromofuran-3-yl)-2-methoxyethanol

1-(2-bromofuran-3-yl)-2-methoxyethanol (PubChem CID 106859379) has the molecular formula C7H9BrO3 and a molecular weight of 221.05 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-2-methoxyethanol
PubChem CID106859379
Molecular FormulaC7H9BrO3
Molecular Weight221.05 g/mol
Exact Mass219.97
IUPAC Name1-(2-bromofuran-3-yl)-2-methoxyethanol
SMILESCOCC(O)c1ccoc1Br
InChIInChI=1S/C7H9BrO3/c1-10-4-6(9)5-2-3-11-7(5)8/h2-3,6,9H,4H2,1H3
InChIKeyWILNVPBHNZBLOD-UHFFFAOYSA-N
XLogP1.72
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromofuran-3-yl)heptan-1-ol
CID 106859123
1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
CID 106859599
1-(2-iodophenyl)-2-methoxyethanol
CID 115819112
1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
CID 106859167
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
CID 106855309
1-(2-bromofuran-3-yl)oct-7-en-1-ol
CID 107012254
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106855316
2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol
CID 106859285
benzene;2-methoxy-1-phenylethanol
CID 174622919
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-methoxyethanol?
The IUPAC name of 1-(2-bromofuran-3-yl)-2-methoxyethanol (CID 106859379) is 1-(2-bromofuran-3-yl)-2-methoxyethanol.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-methoxyethanol?
The canonical SMILES for 1-(2-bromofuran-3-yl)-2-methoxyethanol is COCC(O)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-2-methoxyethanol?
The InChIKey is WILNVPBHNZBLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO3/c1-10-4-6(9)5-2-3-11-7(5)8/h2-3,6,9H,4H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)-2-methoxyethanol?
1-(2-bromofuran-3-yl)-2-methoxyethanol has a molecular weight of 221.05 g/mol, XLogP of 1.72, 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-methoxyethanol is sourced from PubChem (CID 106859379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).