1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol

C15H13BrO2S — CID 105097833

IUPAC1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H13BrO2S/c16-12-3-1-2-11-8-14(18-15(11)12)13(17)5-4-10-6-7-19-9-10/h1-3,6-9,13,17H,4-5H2
InChIKeyCDRRUJJHFYDUPN-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.92
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol

1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol (PubChem CID 105097833) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol
PubChem CID105097833
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H13BrO2S/c16-12-3-1-2-11-8-14(18-15(11)12)13(17)5-4-10-6-7-19-9-10/h1-3,6-9,13,17H,4-5H2
InChIKeyCDRRUJJHFYDUPN-UHFFFAOYSA-N
XLogP4.92
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147976
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
CID 105098554
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 114885636
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
1-(7-bromo-1-benzofuran-2-yl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 105124079
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol (CID 105097833) is 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
The InChIKey is CDRRUJJHFYDUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c16-12-3-1-2-11-8-14(18-15(11)12)13(17)5-4-10-6-7-19-9-10/h1-3,6-9,13,17H,4-5H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol?
1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol has a molecular weight of 337.24 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 105097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).