2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole

C19H19NO — CID 793170

IUPAC2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole
SMILESCc1ccc(C)n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-15-8-9-16(2)20(15)18-10-12-19(13-11-18)21-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyJNBBPLWHZXZJHS-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.67
Rot. Bonds4

About 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole

2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole (PubChem CID 793170) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole
PubChem CID793170
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole
SMILESCc1ccc(C)n1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-15-8-9-16(2)20(15)18-10-12-19(13-11-18)21-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyJNBBPLWHZXZJHS-UHFFFAOYSA-N
XLogP4.67
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole (CID 793170) is 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole is Cc1ccc(C)n1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole?
The InChIKey is JNBBPLWHZXZJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-15-8-9-16(2)20(15)18-10-12-19(13-11-18)21-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole?
2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole has a molecular weight of 277.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole is sourced from PubChem (CID 793170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).