3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one

C13H13NO2 — CID 24741402

IUPAC3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one
SMILESO=C(CCc1ccc(O)cc1)n1cccc1
InChIInChI=1S/C13H13NO2/c15-12-6-3-11(4-7-12)5-8-13(16)14-9-1-2-10-14/h1-4,6-7,9-10,15H,5,8H2
InChIKeyKDWRPVMKVYOUMD-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.47
Rot. Bonds3

About 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one

3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one (PubChem CID 24741402) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one
PubChem CID24741402
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one
SMILESO=C(CCc1ccc(O)cc1)n1cccc1
InChIInChI=1S/C13H13NO2/c15-12-6-3-11(4-7-12)5-8-13(16)14-9-1-2-10-14/h1-4,6-7,9-10,15H,5,8H2
InChIKeyKDWRPVMKVYOUMD-UHFFFAOYSA-N
XLogP2.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one (CID 24741402) is 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one is O=C(CCc1ccc(O)cc1)n1cccc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one?
The InChIKey is KDWRPVMKVYOUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-6-3-11(4-7-12)5-8-13(16)14-9-1-2-10-14/h1-4,6-7,9-10,15H,5,8H2.
What are the key properties of 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one?
3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 24741402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).