5-chloro-1-benzothiophen-3-ol

C8H5ClOS — CID 14555197

IUPAC5-chloro-1-benzothiophen-3-ol
SMILESOc1csc2ccc(Cl)cc12
InChIInChI=1S/C8H5ClOS/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,10H
InChIKeyVOCUQOXVLHYXNS-UHFFFAOYSA-N
MW184.65 g/mol
LogP3.26
Rot. Bonds

About 5-chloro-1-benzothiophen-3-ol

5-chloro-1-benzothiophen-3-ol (PubChem CID 14555197) has the molecular formula C8H5ClOS and a molecular weight of 184.65 g/mol. Its IUPAC name is 5-chloro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5-chloro-1-benzothiophen-3-ol
PubChem CID14555197
Molecular FormulaC8H5ClOS
Molecular Weight184.65 g/mol
Exact Mass183.97
IUPAC Name5-chloro-1-benzothiophen-3-ol
SMILESOc1csc2ccc(Cl)cc12
InChIInChI=1S/C8H5ClOS/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,10H
InChIKeyVOCUQOXVLHYXNS-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-benzothiophen-3-ol?
The IUPAC name of 5-chloro-1-benzothiophen-3-ol (CID 14555197) is 5-chloro-1-benzothiophen-3-ol.
What is the SMILES notation for 5-chloro-1-benzothiophen-3-ol?
The canonical SMILES for 5-chloro-1-benzothiophen-3-ol is Oc1csc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1-benzothiophen-3-ol?
The InChIKey is VOCUQOXVLHYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClOS/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,10H.
What are the key properties of 5-chloro-1-benzothiophen-3-ol?
5-chloro-1-benzothiophen-3-ol has a molecular weight of 184.65 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-benzothiophen-3-ol is sourced from PubChem (CID 14555197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).