3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol

C11H11NO3S — CID 91408828

IUPAC3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol
SMILESCOc1ccc(Sc2cc(O)[nH]c2O)cc1
InChIInChI=1S/C11H11NO3S/c1-15-7-2-4-8(5-3-7)16-9-6-10(13)12-11(9)14/h2-6,12-14H,1H3
InChIKeyMJMMBXUYEBAEFL-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.59
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol

3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol (PubChem CID 91408828) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol
PubChem CID91408828
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol
SMILESCOc1ccc(Sc2cc(O)[nH]c2O)cc1
InChIInChI=1S/C11H11NO3S/c1-15-7-2-4-8(5-3-7)16-9-6-10(13)12-11(9)14/h2-6,12-14H,1H3
InChIKeyMJMMBXUYEBAEFL-UHFFFAOYSA-N
XLogP2.59
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol (CID 91408828) is 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol is COc1ccc(Sc2cc(O)[nH]c2O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol?
The InChIKey is MJMMBXUYEBAEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-7-2-4-8(5-3-7)16-9-6-10(13)12-11(9)14/h2-6,12-14H,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol?
3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol has a molecular weight of 237.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol is sourced from PubChem (CID 91408828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).