3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole

C13H15NO — CID 142774486

IUPAC3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
SMILESCOc1ccc(Cc2cc[nH]c2C)cc1
InChIInChI=1S/C13H15NO/c1-10-12(7-8-14-10)9-11-3-5-13(15-2)6-4-11/h3-8,14H,9H2,1-2H3
InChIKeyPQRPSJUPRMIMRC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.92
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole

3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole (PubChem CID 142774486) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
PubChem CID142774486
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
SMILESCOc1ccc(Cc2cc[nH]c2C)cc1
InChIInChI=1S/C13H15NO/c1-10-12(7-8-14-10)9-11-3-5-13(15-2)6-4-11/h3-8,14H,9H2,1-2H3
InChIKeyPQRPSJUPRMIMRC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
CID 122363305
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
ethyl 4-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 43826349
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
4-[(4-methoxyphenyl)methyl]-3-methyl-2-prop-2-enyl-1H-pyrrole
CID 141372749
2-[(4-methoxyphenyl)methyl]-1H-pyrrole-3-carboxylic acid
CID 96599946
1-[(4-methoxyphenyl)methyl]-2-(phosphorosomethyl)benzene
CID 69239963
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole (CID 142774486) is 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole is COc1ccc(Cc2cc[nH]c2C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole?
The InChIKey is PQRPSJUPRMIMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-12(7-8-14-10)9-11-3-5-13(15-2)6-4-11/h3-8,14H,9H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole?
3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole has a molecular weight of 201.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole is sourced from PubChem (CID 142774486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).