2-[(2-methoxyphenyl)methyl]-1H-pyrrole

C12H13NO — CID 12872044

IUPAC2-[(2-methoxyphenyl)methyl]-1H-pyrrole
SMILESCOc1ccccc1Cc1ccc[nH]1
InChIInChI=1S/C12H13NO/c1-14-12-7-3-2-5-10(12)9-11-6-4-8-13-11/h2-8,13H,9H2,1H3
InChIKeyFVIOROBJXUURKY-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.61
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-1H-pyrrole

2-[(2-methoxyphenyl)methyl]-1H-pyrrole (PubChem CID 12872044) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1H-pyrrole
PubChem CID12872044
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-[(2-methoxyphenyl)methyl]-1H-pyrrole
SMILESCOc1ccccc1Cc1ccc[nH]1
InChIInChI=1S/C12H13NO/c1-14-12-7-3-2-5-10(12)9-11-6-4-8-13-11/h2-8,13H,9H2,1H3
InChIKeyFVIOROBJXUURKY-UHFFFAOYSA-N
XLogP2.61
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1H-pyrrole (CID 12872044) is 2-[(2-methoxyphenyl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1H-pyrrole is COc1ccccc1Cc1ccc[nH]1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1H-pyrrole?
The InChIKey is FVIOROBJXUURKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-12-7-3-2-5-10(12)9-11-6-4-8-13-11/h2-8,13H,9H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1H-pyrrole?
2-[(2-methoxyphenyl)methyl]-1H-pyrrole has a molecular weight of 187.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1H-pyrrole is sourced from PubChem (CID 12872044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).