2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole

C14H15NO2 — CID 67816806

IUPAC2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole
SMILESc1c[nH]c(-c2ccccc2C2COCCO2)c1
InChIInChI=1S/C14H15NO2/c1-2-5-12(14-10-16-8-9-17-14)11(4-1)13-6-3-7-15-13/h1-7,14-15H,8-10H2
InChIKeyOZCPGRCJQFNYJF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.77
Rot. Bonds2

About 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole

2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole (PubChem CID 67816806) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole
PubChem CID67816806
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole
SMILESc1c[nH]c(-c2ccccc2C2COCCO2)c1
InChIInChI=1S/C14H15NO2/c1-2-5-12(14-10-16-8-9-17-14)11(4-1)13-6-3-7-15-13/h1-7,14-15H,8-10H2
InChIKeyOZCPGRCJQFNYJF-UHFFFAOYSA-N
XLogP2.77
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole?
The IUPAC name of 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole (CID 67816806) is 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole.
What is the SMILES notation for 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole?
The canonical SMILES for 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole is c1c[nH]c(-c2ccccc2C2COCCO2)c1.
What is the InChIKey of 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole?
The InChIKey is OZCPGRCJQFNYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-5-12(14-10-16-8-9-17-14)11(4-1)13-6-3-7-15-13/h1-7,14-15H,8-10H2.
What are the key properties of 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole?
2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole has a molecular weight of 229.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxan-2-yl)phenyl]-1H-pyrrole is sourced from PubChem (CID 67816806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).