1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole

C14H17NO — CID 883333

IUPAC1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole
SMILESCOc1ccc(Cn2c(C)ccc2C)cc1
InChIInChI=1S/C14H17NO/c1-11-4-5-12(2)15(11)10-13-6-8-14(16-3)9-7-13/h4-9H,10H2,1-3H3
InChIKeyVDIDWYVYQADTCC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.16
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole

1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole (PubChem CID 883333) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole
PubChem CID883333
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole
SMILESCOc1ccc(Cn2c(C)ccc2C)cc1
InChIInChI=1S/C14H17NO/c1-11-4-5-12(2)15(11)10-13-6-8-14(16-3)9-7-13/h4-9H,10H2,1-3H3
InChIKeyVDIDWYVYQADTCC-UHFFFAOYSA-N
XLogP3.16
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_N(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole (CID 883333) is 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole is COc1ccc(Cn2c(C)ccc2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole?
The InChIKey is VDIDWYVYQADTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-4-5-12(2)15(11)10-13-6-8-14(16-3)9-7-13/h4-9H,10H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole?
1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 883333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).