2-(3-bromofuran-2-yl)ethanol

C6H7BrO2 — CID 63943836

IUPAC2-(3-bromofuran-2-yl)ethanol
SMILESOCCc1occc1Br
InChIInChI=1S/C6H7BrO2/c7-5-2-4-9-6(5)1-3-8/h2,4,8H,1,3H2
InChIKeyWIKOVTCPWJQLCU-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.58
Rot. Bonds2

About 2-(3-bromofuran-2-yl)ethanol

2-(3-bromofuran-2-yl)ethanol (PubChem CID 63943836) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)ethanol
PubChem CID63943836
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name2-(3-bromofuran-2-yl)ethanol
SMILESOCCc1occc1Br
InChIInChI=1S/C6H7BrO2/c7-5-2-4-9-6(5)1-3-8/h2,4,8H,1,3H2
InChIKeyWIKOVTCPWJQLCU-UHFFFAOYSA-N
XLogP1.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)ethanol?
The IUPAC name of 2-(3-bromofuran-2-yl)ethanol (CID 63943836) is 2-(3-bromofuran-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromofuran-2-yl)ethanol?
The canonical SMILES for 2-(3-bromofuran-2-yl)ethanol is OCCc1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)ethanol?
The InChIKey is WIKOVTCPWJQLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c7-5-2-4-9-6(5)1-3-8/h2,4,8H,1,3H2.
What are the key properties of 2-(3-bromofuran-2-yl)ethanol?
2-(3-bromofuran-2-yl)ethanol has a molecular weight of 191.02 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)ethanol is sourced from PubChem (CID 63943836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).