2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole

C16H21NO — CID 22946268

IUPAC2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole
SMILESCCc1cccn1-c1ccc(C)c(COC)c1C
InChIInChI=1S/C16H21NO/c1-5-14-7-6-10-17(14)16-9-8-12(2)15(11-18-4)13(16)3/h6-10H,5,11H2,1-4H3
InChIKeyISILQIKUGBJYDJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.80
Rot. Bonds4

About 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole

2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole (PubChem CID 22946268) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole.

Molecular Properties

Compound Name2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole
PubChem CID22946268
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole
SMILESCCc1cccn1-c1ccc(C)c(COC)c1C
InChIInChI=1S/C16H21NO/c1-5-14-7-6-10-17(14)16-9-8-12(2)15(11-18-4)13(16)3/h6-10H,5,11H2,1-4H3
InChIKeyISILQIKUGBJYDJ-UHFFFAOYSA-N
XLogP3.80
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-(methoxymethyl)-2,4-dimethylphenyl]sulfamic acid
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[1-(methoxymethyl)pyrrol-2-yl]methanol
CID 66400554
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole?
The IUPAC name of 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole (CID 22946268) is 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole.
What is the SMILES notation for 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole?
The canonical SMILES for 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole is CCc1cccn1-c1ccc(C)c(COC)c1C.
What is the InChIKey of 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole?
The InChIKey is ISILQIKUGBJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-14-7-6-10-17(14)16-9-8-12(2)15(11-18-4)13(16)3/h6-10H,5,11H2,1-4H3.
What are the key properties of 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole?
2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole has a molecular weight of 243.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(methoxymethyl)-2,4-dimethylphenyl]pyrrole is sourced from PubChem (CID 22946268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).