bis(2-benzothiophen-1-yl)methanol

C17H12OS2 — CID 57200950

IUPACbis(2-benzothiophen-1-yl)methanol
SMILESOC(c1scc2ccccc12)c1scc2ccccc12
InChIInChI=1S/C17H12OS2/c18-15(16-13-7-3-1-5-11(13)9-19-16)17-14-8-4-2-6-12(14)10-20-17/h1-10,15,18H
InChIKeyRDQGVAWIKMFDIF-UHFFFAOYSA-N
MW296.42 g/mol
LogP5.20
Rot. Bonds2

About bis(2-benzothiophen-1-yl)methanol

bis(2-benzothiophen-1-yl)methanol (PubChem CID 57200950) has the molecular formula C17H12OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is bis(2-benzothiophen-1-yl)methanol.

Molecular Properties

Compound Namebis(2-benzothiophen-1-yl)methanol
PubChem CID57200950
Molecular FormulaC17H12OS2
Molecular Weight296.42 g/mol
Exact Mass296.03
IUPAC Namebis(2-benzothiophen-1-yl)methanol
SMILESOC(c1scc2ccccc12)c1scc2ccccc12
InChIInChI=1S/C17H12OS2/c18-15(16-13-7-3-1-5-11(13)9-19-16)17-14-8-4-2-6-12(14)10-20-17/h1-10,15,18H
InChIKeyRDQGVAWIKMFDIF-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2-benzothiophen-1-yl)methanol?
The IUPAC name of bis(2-benzothiophen-1-yl)methanol (CID 57200950) is bis(2-benzothiophen-1-yl)methanol.
What is the SMILES notation for bis(2-benzothiophen-1-yl)methanol?
The canonical SMILES for bis(2-benzothiophen-1-yl)methanol is OC(c1scc2ccccc12)c1scc2ccccc12.
What is the InChIKey of bis(2-benzothiophen-1-yl)methanol?
The InChIKey is RDQGVAWIKMFDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12OS2/c18-15(16-13-7-3-1-5-11(13)9-19-16)17-14-8-4-2-6-12(14)10-20-17/h1-10,15,18H.
What are the key properties of bis(2-benzothiophen-1-yl)methanol?
bis(2-benzothiophen-1-yl)methanol has a molecular weight of 296.42 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzothiophen-1-yl)methanol is sourced from PubChem (CID 57200950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).