1-(5-bromofuran-2-yl)prop-2-yn-1-ol

C7H5BrO2 — CID 64914570

IUPAC1-(5-bromofuran-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccc(Br)o1
InChIInChI=1S/C7H5BrO2/c1-2-5(9)6-3-4-7(8)10-6/h1,3-5,9H
InChIKeyBRLDAUMHZGFPLQ-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.71
Rot. Bonds1

About 1-(5-bromofuran-2-yl)prop-2-yn-1-ol

1-(5-bromofuran-2-yl)prop-2-yn-1-ol (PubChem CID 64914570) has the molecular formula C7H5BrO2 and a molecular weight of 201.02 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)prop-2-yn-1-ol
PubChem CID64914570
Molecular FormulaC7H5BrO2
Molecular Weight201.02 g/mol
Exact Mass199.95
IUPAC Name1-(5-bromofuran-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccc(Br)o1
InChIInChI=1S/C7H5BrO2/c1-2-5(9)6-3-4-7(8)10-6/h1,3-5,9H
InChIKeyBRLDAUMHZGFPLQ-UHFFFAOYSA-N
XLogP1.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(5-bromofuran-2-yl)prop-2-yn-1-ol (CID 64914570) is 1-(5-bromofuran-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(5-bromofuran-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(5-bromofuran-2-yl)prop-2-yn-1-ol is C#CC(O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)prop-2-yn-1-ol?
The InChIKey is BRLDAUMHZGFPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2/c1-2-5(9)6-3-4-7(8)10-6/h1,3-5,9H.
What are the key properties of 1-(5-bromofuran-2-yl)prop-2-yn-1-ol?
1-(5-bromofuran-2-yl)prop-2-yn-1-ol has a molecular weight of 201.02 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 64914570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).