1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol

C15H14OS2 — CID 105083372

IUPAC1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)Cc1csc2ccccc12
InChIInChI=1S/C15H14OS2/c16-13(7-11-5-6-17-9-11)8-12-10-18-15-4-2-1-3-14(12)15/h1-6,9-10,13,16H,7-8H2
InChIKeyKEWCAODHQNLEHV-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.11
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol

1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 105083372) has the molecular formula C15H14OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
PubChem CID105083372
Molecular FormulaC15H14OS2
Molecular Weight274.41 g/mol
Exact Mass274.05
IUPAC Name1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)Cc1csc2ccccc12
InChIInChI=1S/C15H14OS2/c16-13(7-11-5-6-17-9-11)8-12-10-18-15-4-2-1-3-14(12)15/h1-6,9-10,13,16H,7-8H2
InChIKeyKEWCAODHQNLEHV-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol
CID 105083237
1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol (CID 105083372) is 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol is OC(Cc1ccsc1)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is KEWCAODHQNLEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS2/c16-13(7-11-5-6-17-9-11)8-12-10-18-15-4-2-1-3-14(12)15/h1-6,9-10,13,16H,7-8H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol?
1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 105083372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).