3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole

C16H21NO — CID 57314549

IUPAC3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C)c1-c1ccc(OC)cc1C
InChIInChI=1S/C16H21NO/c1-6-14-11(3)17-12(4)16(14)15-8-7-13(18-5)9-10(15)2/h7-9,17H,6H2,1-5H3
InChIKeyWNCKPTAKVXCCDO-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.18
Rot. Bonds3

About 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole

3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole (PubChem CID 57314549) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole
PubChem CID57314549
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole
SMILESCCc1c(C)[nH]c(C)c1-c1ccc(OC)cc1C
InChIInChI=1S/C16H21NO/c1-6-14-11(3)17-12(4)16(14)15-8-7-13(18-5)9-10(15)2/h7-9,17H,6H2,1-5H3
InChIKeyWNCKPTAKVXCCDO-UHFFFAOYSA-N
XLogP4.18
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-4-hydroxy-6-(4-methoxy-2-methylphenyl)-3-methyl-1H-pyridin-2-one
CID 144545623
4-(4-methoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 50984185
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
5-ethyl-1,2-difluoro-3-(4-methoxy-2-methylphenyl)benzene
CID 123315633
3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
CID 62873195
2-(4-methoxy-2-methylphenyl)-5-propylpyrimidine
CID 56711184
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
3-(4-methoxy-2-methylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106518634
4-chloro-2-ethyl-6-(4-methoxy-2-methylphenyl)pyrimidine
CID 80936399
5-methoxy-4-(4-methoxy-2-methylphenyl)-3-methylpyridazine
CID 118448819
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole?
The IUPAC name of 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole (CID 57314549) is 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole.
What is the SMILES notation for 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole?
The canonical SMILES for 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole is CCc1c(C)[nH]c(C)c1-c1ccc(OC)cc1C.
What is the InChIKey of 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole?
The InChIKey is WNCKPTAKVXCCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-6-14-11(3)17-12(4)16(14)15-8-7-13(18-5)9-10(15)2/h7-9,17H,6H2,1-5H3.
What are the key properties of 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole?
3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole has a molecular weight of 243.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-methoxy-2-methylphenyl)-2,5-dimethyl-1H-pyrrole is sourced from PubChem (CID 57314549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).