2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole

C16H15NOS — CID 132559823

IUPAC2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole
SMILESCOc1ccsc1-c1cc(C)cn1-c1ccccc1
InChIInChI=1S/C16H15NOS/c1-12-10-14(16-15(18-2)8-9-19-16)17(11-12)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyNQIJYOPEKSLLCY-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.52
Rot. Bonds3

About 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole

2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole (PubChem CID 132559823) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole.

Molecular Properties

Compound Name2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole
PubChem CID132559823
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole
SMILESCOc1ccsc1-c1cc(C)cn1-c1ccccc1
InChIInChI=1S/C16H15NOS/c1-12-10-14(16-15(18-2)8-9-19-16)17(11-12)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyNQIJYOPEKSLLCY-UHFFFAOYSA-N
XLogP4.52
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-phenylthiophene
CID 19905010
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954
4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole
CID 123412423
3-(3-methoxythiophen-2-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 114798080
2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 81122968
1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798221
5-(3-methoxythiophen-2-yl)-3-phenyl-1H-1,2,4-triazole
CID 81121779
1-benzyl-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798133
2-[[5-(3-methoxythiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392950
4-ethyl-3-(3-methoxythiophen-2-yl)-1,2,4-triazole
CID 69250902
3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1-phenyl-4-thiophen-2-ylimidazol-2-one
CID 53311889

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole?
The IUPAC name of 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole (CID 132559823) is 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole.
What is the SMILES notation for 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole?
The canonical SMILES for 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole is COc1ccsc1-c1cc(C)cn1-c1ccccc1.
What is the InChIKey of 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole?
The InChIKey is NQIJYOPEKSLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-12-10-14(16-15(18-2)8-9-19-16)17(11-12)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole?
2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole has a molecular weight of 269.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxythiophen-2-yl)-4-methyl-1-phenylpyrrole is sourced from PubChem (CID 132559823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).