1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol

C13H13BrOS — CID 65147917

IUPAC1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
SMILESCC(O)(Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C13H13BrOS/c1-13(15,10-5-3-2-4-6-10)9-12-11(14)7-8-16-12/h2-8,15H,9H2,1H3
InChIKeyHVSNJNRAFJUENR-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol

1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol (PubChem CID 65147917) has the molecular formula C13H13BrOS and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
PubChem CID65147917
Molecular FormulaC13H13BrOS
Molecular Weight297.22 g/mol
Exact Mass295.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
SMILESCC(O)(Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C13H13BrOS/c1-13(15,10-5-3-2-4-6-10)9-12-11(14)7-8-16-12/h2-8,15H,9H2,1H3
InChIKeyHVSNJNRAFJUENR-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol (CID 65147917) is 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol is CC(O)(Cc1sccc1Br)c1ccccc1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol?
The InChIKey is HVSNJNRAFJUENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrOS/c1-13(15,10-5-3-2-4-6-10)9-12-11(14)7-8-16-12/h2-8,15H,9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol?
1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol has a molecular weight of 297.22 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 65147917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).