1-(4-bromothiophen-3-yl)propan-1-ol

C7H9BrOS — CID 79596145

IUPAC1-(4-bromothiophen-3-yl)propan-1-ol
SMILESCCC(O)c1cscc1Br
InChIInChI=1S/C7H9BrOS/c1-2-7(9)5-3-10-4-6(5)8/h3-4,7,9H,2H2,1H3
InChIKeyPYELSQHLXAMNQN-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.95
Rot. Bonds2

About 1-(4-bromothiophen-3-yl)propan-1-ol

1-(4-bromothiophen-3-yl)propan-1-ol (PubChem CID 79596145) has the molecular formula C7H9BrOS and a molecular weight of 221.12 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)propan-1-ol
PubChem CID79596145
Molecular FormulaC7H9BrOS
Molecular Weight221.12 g/mol
Exact Mass219.96
IUPAC Name1-(4-bromothiophen-3-yl)propan-1-ol
SMILESCCC(O)c1cscc1Br
InChIInChI=1S/C7H9BrOS/c1-2-7(9)5-3-10-4-6(5)8/h3-4,7,9H,2H2,1H3
InChIKeyPYELSQHLXAMNQN-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)propan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)propan-1-ol (CID 79596145) is 1-(4-bromothiophen-3-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)propan-1-ol is CCC(O)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)propan-1-ol?
The InChIKey is PYELSQHLXAMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrOS/c1-2-7(9)5-3-10-4-6(5)8/h3-4,7,9H,2H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)propan-1-ol?
1-(4-bromothiophen-3-yl)propan-1-ol has a molecular weight of 221.12 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)propan-1-ol is sourced from PubChem (CID 79596145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).