methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate

C14H15NO3 — CID 59132721

IUPACmethyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate
SMILESCOC(=O)CC(c1ccc(O)cc1)n1cccc1
InChIInChI=1S/C14H15NO3/c1-18-14(17)10-13(15-8-2-3-9-15)11-4-6-12(16)7-5-11/h2-9,13,16H,10H2,1H3
InChIKeyBGNBKGLFHHDJGG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.35
Rot. Bonds4

About methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate

methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate (PubChem CID 59132721) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate
PubChem CID59132721
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate
SMILESCOC(=O)CC(c1ccc(O)cc1)n1cccc1
InChIInChI=1S/C14H15NO3/c1-18-14(17)10-13(15-8-2-3-9-15)11-4-6-12(16)7-5-11/h2-9,13,16H,10H2,1H3
InChIKeyBGNBKGLFHHDJGG-UHFFFAOYSA-N
XLogP2.35
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate?
The IUPAC name of methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate (CID 59132721) is methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate.
What is the SMILES notation for methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate?
The canonical SMILES for methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate is COC(=O)CC(c1ccc(O)cc1)n1cccc1.
What is the InChIKey of methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate?
The InChIKey is BGNBKGLFHHDJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-14(17)10-13(15-8-2-3-9-15)11-4-6-12(16)7-5-11/h2-9,13,16H,10H2,1H3.
What are the key properties of methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate?
methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate has a molecular weight of 245.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxyphenyl)-3-pyrrol-1-ylpropanoate is sourced from PubChem (CID 59132721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).