4-(3-chlorothiophen-2-yl)benzene-1,2-diol

C10H7ClO2S — CID 53361308

IUPAC4-(3-chlorothiophen-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2sccc2Cl)cc1O
InChIInChI=1S/C10H7ClO2S/c11-7-3-4-14-10(7)6-1-2-8(12)9(13)5-6/h1-5,12-13H
InChIKeyUIHFCFOZDWKTFT-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.48
Rot. Bonds1

About 4-(3-chlorothiophen-2-yl)benzene-1,2-diol

4-(3-chlorothiophen-2-yl)benzene-1,2-diol (PubChem CID 53361308) has the molecular formula C10H7ClO2S and a molecular weight of 226.68 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)benzene-1,2-diol
PubChem CID53361308
Molecular FormulaC10H7ClO2S
Molecular Weight226.68 g/mol
Exact Mass225.99
IUPAC Name4-(3-chlorothiophen-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2sccc2Cl)cc1O
InChIInChI=1S/C10H7ClO2S/c11-7-3-4-14-10(7)6-1-2-8(12)9(13)5-6/h1-5,12-13H
InChIKeyUIHFCFOZDWKTFT-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.48
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-(3-chlorothiophen-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(3-chlorothiophen-2-yl)benzene-1,2-diol (CID 53361308) is 4-(3-chlorothiophen-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)benzene-1,2-diol is Oc1ccc(-c2sccc2Cl)cc1O.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)benzene-1,2-diol?
The InChIKey is UIHFCFOZDWKTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2S/c11-7-3-4-14-10(7)6-1-2-8(12)9(13)5-6/h1-5,12-13H.
What are the key properties of 4-(3-chlorothiophen-2-yl)benzene-1,2-diol?
4-(3-chlorothiophen-2-yl)benzene-1,2-diol has a molecular weight of 226.68 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)benzene-1,2-diol is sourced from PubChem (CID 53361308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).