5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole

C18H19NO — CID 11473729

IUPAC5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole
SMILESCC(Oc1ccccc1-c1ccccc1)C1=NCCC1
InChIInChI=1S/C18H19NO/c1-14(17-11-7-13-19-17)20-18-12-6-5-10-16(18)15-8-3-2-4-9-15/h2-6,8-10,12,14H,7,11,13H2,1H3
InChIKeyXTQYZOCQEJTIQI-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.36
Rot. Bonds4

About 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole

5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole (PubChem CID 11473729) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole
PubChem CID11473729
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole
SMILESCC(Oc1ccccc1-c1ccccc1)C1=NCCC1
InChIInChI=1S/C18H19NO/c1-14(17-11-7-13-19-17)20-18-12-6-5-10-16(18)15-8-3-2-4-9-15/h2-6,8-10,12,14H,7,11,13H2,1H3
InChIKeyXTQYZOCQEJTIQI-UHFFFAOYSA-N
XLogP4.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole (CID 11473729) is 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole is CC(Oc1ccccc1-c1ccccc1)C1=NCCC1.
What is the InChIKey of 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is XTQYZOCQEJTIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(17-11-7-13-19-17)20-18-12-6-5-10-16(18)15-8-3-2-4-9-15/h2-6,8-10,12,14H,7,11,13H2,1H3.
What are the key properties of 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole?
5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 265.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 11473729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).