[2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol

C13H10OS2 — CID 19864548

IUPAC[2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol
SMILESOCc1ccsc1-c1cc2ccccc2s1
InChIInChI=1S/C13H10OS2/c14-8-10-5-6-15-13(10)12-7-9-3-1-2-4-11(9)16-12/h1-7,14H,8H2
InChIKeyATRJTGNQPAUNKT-UHFFFAOYSA-N
MW246.36 g/mol
LogP4.12
Rot. Bonds2

About [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol

[2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol (PubChem CID 19864548) has the molecular formula C13H10OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol
PubChem CID19864548
Molecular FormulaC13H10OS2
Molecular Weight246.36 g/mol
Exact Mass246.02
IUPAC Name[2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol
SMILESOCc1ccsc1-c1cc2ccccc2s1
InChIInChI=1S/C13H10OS2/c14-8-10-5-6-15-13(10)12-7-9-3-1-2-4-11(9)16-12/h1-7,14H,8H2
InChIKeyATRJTGNQPAUNKT-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol?
The IUPAC name of [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol (CID 19864548) is [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol.
What is the SMILES notation for [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol?
The canonical SMILES for [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol is OCc1ccsc1-c1cc2ccccc2s1.
What is the InChIKey of [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol?
The InChIKey is ATRJTGNQPAUNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS2/c14-8-10-5-6-15-13(10)12-7-9-3-1-2-4-11(9)16-12/h1-7,14H,8H2.
What are the key properties of [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol?
[2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol has a molecular weight of 246.36 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-2-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 19864548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).