3-(4-bromofuran-2-yl)propan-1-ol

C7H9BrO2 — CID 101100503

IUPAC3-(4-bromofuran-2-yl)propan-1-ol
SMILESOCCCc1cc(Br)co1
InChIInChI=1S/C7H9BrO2/c8-6-4-7(10-5-6)2-1-3-9/h4-5,9H,1-3H2
InChIKeyQMENKCJTWDDQHI-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.97
Rot. Bonds3

About 3-(4-bromofuran-2-yl)propan-1-ol

3-(4-bromofuran-2-yl)propan-1-ol (PubChem CID 101100503) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 3-(4-bromofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromofuran-2-yl)propan-1-ol
PubChem CID101100503
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name3-(4-bromofuran-2-yl)propan-1-ol
SMILESOCCCc1cc(Br)co1
InChIInChI=1S/C7H9BrO2/c8-6-4-7(10-5-6)2-1-3-9/h4-5,9H,1-3H2
InChIKeyQMENKCJTWDDQHI-UHFFFAOYSA-N
XLogP1.97
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromofuran-2-yl)propan-1-ol?
The IUPAC name of 3-(4-bromofuran-2-yl)propan-1-ol (CID 101100503) is 3-(4-bromofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-bromofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-bromofuran-2-yl)propan-1-ol is OCCCc1cc(Br)co1.
What is the InChIKey of 3-(4-bromofuran-2-yl)propan-1-ol?
The InChIKey is QMENKCJTWDDQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c8-6-4-7(10-5-6)2-1-3-9/h4-5,9H,1-3H2.
What are the key properties of 3-(4-bromofuran-2-yl)propan-1-ol?
3-(4-bromofuran-2-yl)propan-1-ol has a molecular weight of 205.05 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromofuran-2-yl)propan-1-ol is sourced from PubChem (CID 101100503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).