methyl 2-hydroxy-4-pyrrol-1-ylbenzoate

C12H11NO3 — CID 2764423

IUPACmethyl 2-hydroxy-4-pyrrol-1-ylbenzoate
SMILESCOC(=O)c1ccc(-n2cccc2)cc1O
InChIInChI=1S/C12H11NO3/c1-16-12(15)10-5-4-9(8-11(10)14)13-6-2-3-7-13/h2-8,14H,1H3
InChIKeyFOBLNLGBEWRJLG-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.97
Rot. Bonds2

About methyl 2-hydroxy-4-pyrrol-1-ylbenzoate

methyl 2-hydroxy-4-pyrrol-1-ylbenzoate (PubChem CID 2764423) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-hydroxy-4-pyrrol-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-pyrrol-1-ylbenzoate
PubChem CID2764423
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 2-hydroxy-4-pyrrol-1-ylbenzoate
SMILESCOC(=O)c1ccc(-n2cccc2)cc1O
InChIInChI=1S/C12H11NO3/c1-16-12(15)10-5-4-9(8-11(10)14)13-6-2-3-7-13/h2-8,14H,1H3
InChIKeyFOBLNLGBEWRJLG-UHFFFAOYSA-N
XLogP1.97
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-4-pyrrol-1-ylbenzoate 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 methyl 2-hydroxy-4-pyrrol-1-ylbenzoate?
The IUPAC name of methyl 2-hydroxy-4-pyrrol-1-ylbenzoate (CID 2764423) is methyl 2-hydroxy-4-pyrrol-1-ylbenzoate.
What is the SMILES notation for methyl 2-hydroxy-4-pyrrol-1-ylbenzoate?
The canonical SMILES for methyl 2-hydroxy-4-pyrrol-1-ylbenzoate is COC(=O)c1ccc(-n2cccc2)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-pyrrol-1-ylbenzoate?
The InChIKey is FOBLNLGBEWRJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-12(15)10-5-4-9(8-11(10)14)13-6-2-3-7-13/h2-8,14H,1H3.
What are the key properties of methyl 2-hydroxy-4-pyrrol-1-ylbenzoate?
methyl 2-hydroxy-4-pyrrol-1-ylbenzoate has a molecular weight of 217.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-pyrrol-1-ylbenzoate is sourced from PubChem (CID 2764423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).