1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one

C17H21NO3 — CID 79109199

IUPAC1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one
SMILESCCOc1ccccc1OCCn1ccc(C(=O)CC)c1
InChIInChI=1S/C17H21NO3/c1-3-15(19)14-9-10-18(13-14)11-12-21-17-8-6-5-7-16(17)20-4-2/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyAUVCISUPJCXSGR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.56
Rot. Bonds8

About 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one

1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one (PubChem CID 79109199) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one
PubChem CID79109199
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one
SMILESCCOc1ccccc1OCCn1ccc(C(=O)CC)c1
InChIInChI=1S/C17H21NO3/c1-3-15(19)14-9-10-18(13-14)11-12-21-17-8-6-5-7-16(17)20-4-2/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyAUVCISUPJCXSGR-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 66406743
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406724
1-(4-butoxy-3-ethoxyphenyl)propan-1-one
CID 83952161
1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108388
1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpyrrole-2-carboxylic acid
CID 102604533
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
4-(chloromethyl)-1-[2-(2-ethoxyphenoxy)ethyl]imidazole
CID 106720878
4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
CID 7638259
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
1-[2-(2-ethoxyphenoxy)ethyl]-N'-hydroxypyrrole-2-carboximidamide
CID 114654700
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one (CID 79109199) is 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one is CCOc1ccccc1OCCn1ccc(C(=O)CC)c1.
What is the InChIKey of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one?
The InChIKey is AUVCISUPJCXSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-15(19)14-9-10-18(13-14)11-12-21-17-8-6-5-7-16(17)20-4-2/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one?
1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one has a molecular weight of 287.36 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]propan-1-one is sourced from PubChem (CID 79109199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).