4-(5-chlorothiophen-2-yl)benzene-1,2-diol

C10H7ClO2S — CID 25130841

IUPAC4-(5-chlorothiophen-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2ccc(Cl)s2)cc1O
InChIInChI=1S/C10H7ClO2S/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5,12-13H
InChIKeyFNNUQXJUIYAJSL-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.48
Rot. Bonds1

About 4-(5-chlorothiophen-2-yl)benzene-1,2-diol

4-(5-chlorothiophen-2-yl)benzene-1,2-diol (PubChem CID 25130841) has the molecular formula C10H7ClO2S and a molecular weight of 226.68 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)benzene-1,2-diol
PubChem CID25130841
Molecular FormulaC10H7ClO2S
Molecular Weight226.68 g/mol
Exact Mass225.99
IUPAC Name4-(5-chlorothiophen-2-yl)benzene-1,2-diol
SMILESOc1ccc(-c2ccc(Cl)s2)cc1O
InChIInChI=1S/C10H7ClO2S/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5,12-13H
InChIKeyFNNUQXJUIYAJSL-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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Related Compounds

4-[5-(3-Hydroxyphenyl)-2-thienyl]benzene-1,2-diol
CID 25192476
4-(3-Ethylthiophen-2-yl)benzene-1,2-diol
CID 24875311
3''-(5-Chloro-2-thienyl)biphenyl-3-ol
CID 46844318
4-(3,4,5-Trichlorothiophen-2-yl)benzene-1,2-diol
CID 53361307
4-Thiophen-2-ylbenzene-1,2-diol
CID 25131492
4-Thiophen-3-ylbenzene-1,2-diol
CID 25131839
5-[5-(3,4-Dihydroxyphenyl)thiophen-2-yl]-3-iodobenzene-1,2-diol
CID 66546455
4-[5-(3,4-Dihydroxyphenyl)thiophen-2-yl]benzene-1,2-diol
CID 66548559
4-(5-Bromothiophen-2-yl)benzene-1,2-diol
CID 66548563
4-(3-Butylthiophen-2-yl)benzene-1,2-diol
CID 25130842
4-[3-(2-Bromoethyl)thiophen-2-yl]benzene-1,2-diol
CID 25130843
4-(2,5-Dimethylthiophen-3-yl)benzene-1,2-diol
CID 25130844

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(5-chlorothiophen-2-yl)benzene-1,2-diol (CID 25130841) is 4-(5-chlorothiophen-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)benzene-1,2-diol is Oc1ccc(-c2ccc(Cl)s2)cc1O.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)benzene-1,2-diol?
The InChIKey is FNNUQXJUIYAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2S/c11-10-4-3-9(14-10)6-1-2-7(12)8(13)5-6/h1-5,12-13H.
What are the key properties of 4-(5-chlorothiophen-2-yl)benzene-1,2-diol?
4-(5-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-(5-chlorothiophen-2-yl)benzene-1,2-diol is sourced from PubChem (CID 25130841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).