2-(5-bromothiophen-2-yl)pent-4-en-2-ol

C9H11BrOS — CID 135009789

IUPAC2-(5-bromothiophen-2-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrOS/c1-3-6-9(2,11)7-4-5-8(10)12-7/h3-5,11H,1,6H2,2H3
InChIKeyBPZVJJHTPDIVHE-UHFFFAOYSA-N
MW247.16 g/mol
LogP3.29
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)pent-4-en-2-ol

2-(5-bromothiophen-2-yl)pent-4-en-2-ol (PubChem CID 135009789) has the molecular formula C9H11BrOS and a molecular weight of 247.16 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)pent-4-en-2-ol
PubChem CID135009789
Molecular FormulaC9H11BrOS
Molecular Weight247.16 g/mol
Exact Mass245.97
IUPAC Name2-(5-bromothiophen-2-yl)pent-4-en-2-ol
SMILESC=CCC(C)(O)c1ccc(Br)s1
InChIInChI=1S/C9H11BrOS/c1-3-6-9(2,11)7-4-5-8(10)12-7/h3-5,11H,1,6H2,2H3
InChIKeyBPZVJJHTPDIVHE-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)pent-4-en-2-ol?
The IUPAC name of 2-(5-bromothiophen-2-yl)pent-4-en-2-ol (CID 135009789) is 2-(5-bromothiophen-2-yl)pent-4-en-2-ol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)pent-4-en-2-ol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)pent-4-en-2-ol is C=CCC(C)(O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)pent-4-en-2-ol?
The InChIKey is BPZVJJHTPDIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrOS/c1-3-6-9(2,11)7-4-5-8(10)12-7/h3-5,11H,1,6H2,2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)pent-4-en-2-ol?
2-(5-bromothiophen-2-yl)pent-4-en-2-ol has a molecular weight of 247.16 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)pent-4-en-2-ol is sourced from PubChem (CID 135009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).