1-(2,6-diethoxyphenyl)pyrrole

C14H17NO2 — CID 141150995

IUPAC1-(2,6-diethoxyphenyl)pyrrole
SMILESCCOc1cccc(OCC)c1-n1cccc1
InChIInChI=1S/C14H17NO2/c1-3-16-12-8-7-9-13(17-4-2)14(12)15-10-5-6-11-15/h5-11H,3-4H2,1-2H3
InChIKeyYKMVRAGHGBHJHM-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.27
Rot. Bonds5

About 1-(2,6-diethoxyphenyl)pyrrole

1-(2,6-diethoxyphenyl)pyrrole (PubChem CID 141150995) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2,6-diethoxyphenyl)pyrrole.

Molecular Properties

Compound Name1-(2,6-diethoxyphenyl)pyrrole
PubChem CID141150995
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2,6-diethoxyphenyl)pyrrole
SMILESCCOc1cccc(OCC)c1-n1cccc1
InChIInChI=1S/C14H17NO2/c1-3-16-12-8-7-9-13(17-4-2)14(12)15-10-5-6-11-15/h5-11H,3-4H2,1-2H3
InChIKeyYKMVRAGHGBHJHM-UHFFFAOYSA-N
XLogP3.27
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-diethoxyphenyl)piperidine
CID 12585905
2,6-diethoxybenzonitrile
CID 3018118
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
(3-ethoxy-4-methoxyphenyl)-(3-pyrrol-1-ylphenyl)methanol
CID 69205838
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
2-ethoxy-6-methylphenol
CID 14911944
1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
lithium;1-ethoxynaphthalene;hydride
CID 174613942
(2-ethoxyphenyl)phosphane
CID 19813759
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
2-ethoxy-6-(3-sulfanylpropyl)phenol
CID 83930701

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethoxyphenyl)pyrrole?
The IUPAC name of 1-(2,6-diethoxyphenyl)pyrrole (CID 141150995) is 1-(2,6-diethoxyphenyl)pyrrole.
What is the SMILES notation for 1-(2,6-diethoxyphenyl)pyrrole?
The canonical SMILES for 1-(2,6-diethoxyphenyl)pyrrole is CCOc1cccc(OCC)c1-n1cccc1.
What is the InChIKey of 1-(2,6-diethoxyphenyl)pyrrole?
The InChIKey is YKMVRAGHGBHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-16-12-8-7-9-13(17-4-2)14(12)15-10-5-6-11-15/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-(2,6-diethoxyphenyl)pyrrole?
1-(2,6-diethoxyphenyl)pyrrole has a molecular weight of 231.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethoxyphenyl)pyrrole is sourced from PubChem (CID 141150995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).