2,3-dihydro-1-benzothiophen-4-ol

C8H8OS — CID 12937898

IUPAC2,3-dihydro-1-benzothiophen-4-ol
SMILESOc1cccc2c1CCS2
InChIInChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,9H,4-5H2
InChIKeyDFYUEGPVPYBKGD-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.04
Rot. Bonds

About 2,3-dihydro-1-benzothiophen-4-ol

2,3-dihydro-1-benzothiophen-4-ol (PubChem CID 12937898) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-4-ol
PubChem CID12937898
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2,3-dihydro-1-benzothiophen-4-ol
SMILESOc1cccc2c1CCS2
InChIInChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,9H,4-5H2
InChIKeyDFYUEGPVPYBKGD-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-4-ol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-4-ol (CID 12937898) is 2,3-dihydro-1-benzothiophen-4-ol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-4-ol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-4-ol is Oc1cccc2c1CCS2.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-4-ol?
The InChIKey is DFYUEGPVPYBKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,9H,4-5H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-4-ol?
2,3-dihydro-1-benzothiophen-4-ol has a molecular weight of 152.22 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-4-ol is sourced from PubChem (CID 12937898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).