methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate

C14H15NO3 — CID 117222442

IUPACmethyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
SMILESCCn1cc(-c2ccccc2O)cc1C(=O)OC
InChIInChI=1S/C14H15NO3/c1-3-15-9-10(8-12(15)14(17)18-2)11-6-4-5-7-13(11)16/h4-9,16H,3H2,1-2H3
InChIKeyVGEUJOHBNBKGQA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.67
Rot. Bonds3

About methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate

methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate (PubChem CID 117222442) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
PubChem CID117222442
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
SMILESCCn1cc(-c2ccccc2O)cc1C(=O)OC
InChIInChI=1S/C14H15NO3/c1-3-15-9-10(8-12(15)14(17)18-2)11-6-4-5-7-13(11)16/h4-9,16H,3H2,1-2H3
InChIKeyVGEUJOHBNBKGQA-UHFFFAOYSA-N
XLogP2.67
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
CID 117222897
methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 117223182
methyl 1-ethyl-4-(4-fluorophenyl)pyrrole-2-carboxylate
CID 117223216
methyl 4-(3-chlorophenyl)-1-ethylpyrrole-2-carboxylate
CID 117222878
2-(5-amino-1-ethylpyrrol-3-yl)phenol
CID 117222432
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
methyl 1-methyl-4-(2-methylphenyl)pyrrole-2-carboxylate
CID 117222454
methyl 3-bromo-5-(2-hydroxyphenyl)benzoate
CID 175028755
methyl hydrogen carbonate;2-phenylphenol
CID 67829227
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
methyl 1-ethyl-5-[2-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
CID 117222284
dimethyl 4-hydroxyazulene-1,3-dicarboxylate
CID 10682741

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate (CID 117222442) is methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate is CCn1cc(-c2ccccc2O)cc1C(=O)OC.
What is the InChIKey of methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate?
The InChIKey is VGEUJOHBNBKGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-15-9-10(8-12(15)14(17)18-2)11-6-4-5-7-13(11)16/h4-9,16H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate?
methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 117222442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).