3-(3-bromofuran-2-yl)cyclopentan-1-ol

C9H11BrO2 — CID 64513665

IUPAC3-(3-bromofuran-2-yl)cyclopentan-1-ol
SMILESOC1CCC(c2occc2Br)C1
InChIInChI=1S/C9H11BrO2/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-4,6-7,11H,1-2,5H2
InChIKeyZSHLLSKGVSZQMN-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.67
Rot. Bonds1

About 3-(3-bromofuran-2-yl)cyclopentan-1-ol

3-(3-bromofuran-2-yl)cyclopentan-1-ol (PubChem CID 64513665) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-(3-bromofuran-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(3-bromofuran-2-yl)cyclopentan-1-ol
PubChem CID64513665
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name3-(3-bromofuran-2-yl)cyclopentan-1-ol
SMILESOC1CCC(c2occc2Br)C1
InChIInChI=1S/C9H11BrO2/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-4,6-7,11H,1-2,5H2
InChIKeyZSHLLSKGVSZQMN-UHFFFAOYSA-N
XLogP2.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromofuran-2-yl)cyclopentan-1-ol?
The IUPAC name of 3-(3-bromofuran-2-yl)cyclopentan-1-ol (CID 64513665) is 3-(3-bromofuran-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(3-bromofuran-2-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(3-bromofuran-2-yl)cyclopentan-1-ol is OC1CCC(c2occc2Br)C1.
What is the InChIKey of 3-(3-bromofuran-2-yl)cyclopentan-1-ol?
The InChIKey is ZSHLLSKGVSZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c10-8-3-4-12-9(8)6-1-2-7(11)5-6/h3-4,6-7,11H,1-2,5H2.
What are the key properties of 3-(3-bromofuran-2-yl)cyclopentan-1-ol?
3-(3-bromofuran-2-yl)cyclopentan-1-ol has a molecular weight of 231.09 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromofuran-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 64513665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).