5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one

C8H8O2S — CID 16639090

IUPAC5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C1c2ccsc2CCC1O
InChIInChI=1S/C8H8O2S/c9-6-1-2-7-5(8(6)10)3-4-11-7/h3-4,6,9H,1-2H2
InChIKeyHYTBINJOBAXXLJ-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.24
Rot. Bonds

About 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one

5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one (PubChem CID 16639090) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one.

Molecular Properties

Compound Name5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one
PubChem CID16639090
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C1c2ccsc2CCC1O
InChIInChI=1S/C8H8O2S/c9-6-1-2-7-5(8(6)10)3-4-11-7/h3-4,6,9H,1-2H2
InChIKeyHYTBINJOBAXXLJ-UHFFFAOYSA-N
XLogP1.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one?
The IUPAC name of 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one (CID 16639090) is 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one.
What is the SMILES notation for 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one?
The canonical SMILES for 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one is O=C1c2ccsc2CCC1O.
What is the InChIKey of 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one?
The InChIKey is HYTBINJOBAXXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c9-6-1-2-7-5(8(6)10)3-4-11-7/h3-4,6,9H,1-2H2.
What are the key properties of 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one?
5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one has a molecular weight of 168.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one is sourced from PubChem (CID 16639090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).