1-(1-ethoxyethyl)-2-phenylpyrrole

C14H17NO — CID 5096737

IUPAC1-(1-ethoxyethyl)-2-phenylpyrrole
SMILESCCOC(C)n1cccc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-16-12(2)15-11-7-10-14(15)13-8-5-4-6-9-13/h4-12H,3H2,1-2H3
InChIKeyCFYXLOVXYJDSPV-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.71
Rot. Bonds4

About 1-(1-ethoxyethyl)-2-phenylpyrrole

1-(1-ethoxyethyl)-2-phenylpyrrole (PubChem CID 5096737) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-2-phenylpyrrole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-2-phenylpyrrole
PubChem CID5096737
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(1-ethoxyethyl)-2-phenylpyrrole
SMILESCCOC(C)n1cccc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-3-16-12(2)15-11-7-10-14(15)13-8-5-4-6-9-13/h4-12H,3H2,1-2H3
InChIKeyCFYXLOVXYJDSPV-UHFFFAOYSA-N
XLogP3.71
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-2-phenylpyrrole?
The IUPAC name of 1-(1-ethoxyethyl)-2-phenylpyrrole (CID 5096737) is 1-(1-ethoxyethyl)-2-phenylpyrrole.
What is the SMILES notation for 1-(1-ethoxyethyl)-2-phenylpyrrole?
The canonical SMILES for 1-(1-ethoxyethyl)-2-phenylpyrrole is CCOC(C)n1cccc1-c1ccccc1.
What is the InChIKey of 1-(1-ethoxyethyl)-2-phenylpyrrole?
The InChIKey is CFYXLOVXYJDSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-16-12(2)15-11-7-10-14(15)13-8-5-4-6-9-13/h4-12H,3H2,1-2H3.
What are the key properties of 1-(1-ethoxyethyl)-2-phenylpyrrole?
1-(1-ethoxyethyl)-2-phenylpyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-2-phenylpyrrole is sourced from PubChem (CID 5096737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).