3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole

C15H19NO — CID 172843814

IUPAC3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole
SMILESCCOCC1(CCc2ccccc2)C=CN=C1
InChIInChI=1S/C15H19NO/c1-2-17-13-15(10-11-16-12-15)9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3
InChIKeyXDMHAZLUJIOTER-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.24
Rot. Bonds6

About 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole

3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole (PubChem CID 172843814) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole
PubChem CID172843814
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole
SMILESCCOCC1(CCc2ccccc2)C=CN=C1
InChIInChI=1S/C15H19NO/c1-2-17-13-15(10-11-16-12-15)9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3
InChIKeyXDMHAZLUJIOTER-UHFFFAOYSA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole?
The IUPAC name of 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole (CID 172843814) is 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole.
What is the SMILES notation for 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole?
The canonical SMILES for 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole is CCOCC1(CCc2ccccc2)C=CN=C1.
What is the InChIKey of 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole?
The InChIKey is XDMHAZLUJIOTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-17-13-15(10-11-16-12-15)9-8-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9,13H2,1H3.
What are the key properties of 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole?
3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole has a molecular weight of 229.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-(2-phenylethyl)pyrrole is sourced from PubChem (CID 172843814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).