1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole

C14H17NO — CID 82078644

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
SMILESCc1cccc(C)c1OCCn1cccc1
InChIInChI=1S/C14H17NO/c1-12-6-5-7-13(2)14(12)16-11-10-15-8-3-4-9-15/h3-9H,10-11H2,1-2H3
InChIKeyVTBUZBSQWQFVEO-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.18
Rot. Bonds4

About 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole

1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole (PubChem CID 82078644) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
PubChem CID82078644
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole
SMILESCc1cccc(C)c1OCCn1cccc1
InChIInChI=1S/C14H17NO/c1-12-6-5-7-13(2)14(12)16-11-10-15-8-3-4-9-15/h3-9H,10-11H2,1-2H3
InChIKeyVTBUZBSQWQFVEO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole (CID 82078644) is 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole is Cc1cccc(C)c1OCCn1cccc1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
The InChIKey is VTBUZBSQWQFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-6-5-7-13(2)14(12)16-11-10-15-8-3-4-9-15/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole?
1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]pyrrole is sourced from PubChem (CID 82078644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).