4-bromo-2-(3-thiophen-2-ylpropyl)phenol

C13H13BrOS — CID 174736341

IUPAC4-bromo-2-(3-thiophen-2-ylpropyl)phenol
SMILESOc1ccc(Br)cc1CCCc1cccs1
InChIInChI=1S/C13H13BrOS/c14-11-6-7-13(15)10(9-11)3-1-4-12-5-2-8-16-12/h2,5-9,15H,1,3-4H2
InChIKeyYYISVUVMFJTRJB-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.39
Rot. Bonds4

About 4-bromo-2-(3-thiophen-2-ylpropyl)phenol

4-bromo-2-(3-thiophen-2-ylpropyl)phenol (PubChem CID 174736341) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-bromo-2-(3-thiophen-2-ylpropyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(3-thiophen-2-ylpropyl)phenol
PubChem CID174736341
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name4-bromo-2-(3-thiophen-2-ylpropyl)phenol
SMILESOc1ccc(Br)cc1CCCc1cccs1
InChIInChI=1S/C13H13BrOS/c14-11-6-7-13(15)10(9-11)3-1-4-12-5-2-8-16-12/h2,5-9,15H,1,3-4H2
InChIKeyYYISVUVMFJTRJB-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 102675102
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3-[(5-bromo-2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid
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CID 83962574

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-thiophen-2-ylpropyl)phenol?
The IUPAC name of 4-bromo-2-(3-thiophen-2-ylpropyl)phenol (CID 174736341) is 4-bromo-2-(3-thiophen-2-ylpropyl)phenol.
What is the SMILES notation for 4-bromo-2-(3-thiophen-2-ylpropyl)phenol?
The canonical SMILES for 4-bromo-2-(3-thiophen-2-ylpropyl)phenol is Oc1ccc(Br)cc1CCCc1cccs1.
What is the InChIKey of 4-bromo-2-(3-thiophen-2-ylpropyl)phenol?
The InChIKey is YYISVUVMFJTRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c14-11-6-7-13(15)10(9-11)3-1-4-12-5-2-8-16-12/h2,5-9,15H,1,3-4H2.
What are the key properties of 4-bromo-2-(3-thiophen-2-ylpropyl)phenol?
4-bromo-2-(3-thiophen-2-ylpropyl)phenol has a molecular weight of 297.22 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-thiophen-2-ylpropyl)phenol is sourced from PubChem (CID 174736341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).