4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol

C10H6Cl2O2S — CID 25131840

IUPAC4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cc(Cl)sc2Cl)cc1O
InChIInChI=1S/C10H6Cl2O2S/c11-9-4-6(10(12)15-9)5-1-2-7(13)8(14)3-5/h1-4,13-14H
InChIKeyOJUSAANCDAARGW-UHFFFAOYSA-N
MW261.13 g/mol
LogP4.13
Rot. Bonds1

About 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol

4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol (PubChem CID 25131840) has the molecular formula C10H6Cl2O2S and a molecular weight of 261.13 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol
PubChem CID25131840
Molecular FormulaC10H6Cl2O2S
Molecular Weight261.13 g/mol
Exact Mass259.95
IUPAC Name4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cc(Cl)sc2Cl)cc1O
InChIInChI=1S/C10H6Cl2O2S/c11-9-4-6(10(12)15-9)5-1-2-7(13)8(14)3-5/h1-4,13-14H
InChIKeyOJUSAANCDAARGW-UHFFFAOYSA-N
XLogP4.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 54.13
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-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol (CID 25131840) is 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol is Oc1ccc(-c2cc(Cl)sc2Cl)cc1O.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol?
The InChIKey is OJUSAANCDAARGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O2S/c11-9-4-6(10(12)15-9)5-1-2-7(13)8(14)3-5/h1-4,13-14H.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol?
4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol has a molecular weight of 261.13 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)benzene-1,2-diol is sourced from PubChem (CID 25131840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).