2-(2-ethylhexyl)-3-methoxy-1H-pyrrole

C13H23NO — CID 162020150

IUPAC2-(2-ethylhexyl)-3-methoxy-1H-pyrrole
SMILESCCCCC(CC)Cc1[nH]ccc1OC
InChIInChI=1S/C13H23NO/c1-4-6-7-11(5-2)10-12-13(15-3)8-9-14-12/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyYUQNNMLTISBEJE-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.78
Rot. Bonds7

About 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole

2-(2-ethylhexyl)-3-methoxy-1H-pyrrole (PubChem CID 162020150) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole.

Molecular Properties

Compound Name2-(2-ethylhexyl)-3-methoxy-1H-pyrrole
PubChem CID162020150
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(2-ethylhexyl)-3-methoxy-1H-pyrrole
SMILESCCCCC(CC)Cc1[nH]ccc1OC
InChIInChI=1S/C13H23NO/c1-4-6-7-11(5-2)10-12-13(15-3)8-9-14-12/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyYUQNNMLTISBEJE-UHFFFAOYSA-N
XLogP3.78
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
4-(3-ethylheptyl)-3-(2-ethylhexyl)-2-methoxyphenol
CID 123669477
4-ethyl-2-[(4-methoxyphenyl)methyl]octan-1-ol
CID 66058427
1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
CID 86054724
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
1,4-dimethoxy-2-(2-octadecylicosyl)benzene
CID 19875610
2-(2-ethylhexyl)benzene-1,4-diamine
CID 151075320
1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
CID 104817350
[1-(3,4-dimethoxyphenyl)-3-ethylheptyl]hydrazine
CID 105192141
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole?
The IUPAC name of 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole (CID 162020150) is 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole.
What is the SMILES notation for 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole?
The canonical SMILES for 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole is CCCCC(CC)Cc1[nH]ccc1OC.
What is the InChIKey of 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole?
The InChIKey is YUQNNMLTISBEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-7-11(5-2)10-12-13(15-3)8-9-14-12/h8-9,11,14H,4-7,10H2,1-3H3.
What are the key properties of 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole?
2-(2-ethylhexyl)-3-methoxy-1H-pyrrole has a molecular weight of 209.33 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-3-methoxy-1H-pyrrole is sourced from PubChem (CID 162020150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).