(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol

C10H12OS — CID 119089142

IUPAC(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol
SMILESOC/C=C1\CCCc2sccc21
InChIInChI=1S/C10H12OS/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h4-5,7,11H,1-3,6H2/b8-4+
InChIKeyOQWABBTZBQIMQJ-XBXARRHUSA-N
MW180.27 g/mol
LogP2.46
Rot. Bonds1

About (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol

(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol (PubChem CID 119089142) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol
PubChem CID119089142
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol
SMILESOC/C=C1\CCCc2sccc21
InChIInChI=1S/C10H12OS/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h4-5,7,11H,1-3,6H2/b8-4+
InChIKeyOQWABBTZBQIMQJ-XBXARRHUSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol?
The IUPAC name of (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol (CID 119089142) is (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol?
The canonical SMILES for (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol is OC/C=C1\CCCc2sccc21.
What is the InChIKey of (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol?
The InChIKey is OQWABBTZBQIMQJ-XBXARRHUSA-N. The full InChI is InChI=1S/C10H12OS/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h4-5,7,11H,1-3,6H2/b8-4+.
What are the key properties of (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol?
(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol has a molecular weight of 180.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethanol is sourced from PubChem (CID 119089142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).