4-thiophen-3-ylbenzene-1,2-diol

C10H8O2S — CID 25131839

IUPAC4-thiophen-3-ylbenzene-1,2-diol
SMILESOc1ccc(-c2ccsc2)cc1O
InChIInChI=1S/C10H8O2S/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-6,11-12H
InChIKeyJPXNWAACQTWCSX-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.83
Rot. Bonds1

About 4-thiophen-3-ylbenzene-1,2-diol

4-thiophen-3-ylbenzene-1,2-diol (PubChem CID 25131839) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-thiophen-3-ylbenzene-1,2-diol.

Molecular Properties

Compound Name4-thiophen-3-ylbenzene-1,2-diol
PubChem CID25131839
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name4-thiophen-3-ylbenzene-1,2-diol
SMILESOc1ccc(-c2ccsc2)cc1O
InChIInChI=1S/C10H8O2S/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-6,11-12H
InChIKeyJPXNWAACQTWCSX-UHFFFAOYSA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-ylbenzene-1,2-diol?
The IUPAC name of 4-thiophen-3-ylbenzene-1,2-diol (CID 25131839) is 4-thiophen-3-ylbenzene-1,2-diol.
What is the SMILES notation for 4-thiophen-3-ylbenzene-1,2-diol?
The canonical SMILES for 4-thiophen-3-ylbenzene-1,2-diol is Oc1ccc(-c2ccsc2)cc1O.
What is the InChIKey of 4-thiophen-3-ylbenzene-1,2-diol?
The InChIKey is JPXNWAACQTWCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c11-9-2-1-7(5-10(9)12)8-3-4-13-6-8/h1-6,11-12H.
What are the key properties of 4-thiophen-3-ylbenzene-1,2-diol?
4-thiophen-3-ylbenzene-1,2-diol has a molecular weight of 192.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-ylbenzene-1,2-diol is sourced from PubChem (CID 25131839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).