2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole

C13H15NO — CID 66914798

IUPAC2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole
SMILESCOCc1[nH]cc(-c2ccccc2)c1C
InChIInChI=1S/C13H15NO/c1-10-12(8-14-13(10)9-15-2)11-6-4-3-5-7-11/h3-8,14H,9H2,1-2H3
InChIKeyCYKJIRGFOFCSMH-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.14
Rot. Bonds3

About 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole

2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole (PubChem CID 66914798) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole
PubChem CID66914798
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole
SMILESCOCc1[nH]cc(-c2ccccc2)c1C
InChIInChI=1S/C13H15NO/c1-10-12(8-14-13(10)9-15-2)11-6-4-3-5-7-11/h3-8,14H,9H2,1-2H3
InChIKeyCYKJIRGFOFCSMH-UHFFFAOYSA-N
XLogP3.14
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole?
The IUPAC name of 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole (CID 66914798) is 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole.
What is the SMILES notation for 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole?
The canonical SMILES for 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole is COCc1[nH]cc(-c2ccccc2)c1C.
What is the InChIKey of 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole?
The InChIKey is CYKJIRGFOFCSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-12(8-14-13(10)9-15-2)11-6-4-3-5-7-11/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole?
2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole has a molecular weight of 201.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-methyl-4-phenyl-1H-pyrrole is sourced from PubChem (CID 66914798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).