2-(2,4-dimethylphenoxy)-1H-pyrrole

C12H13NO — CID 70421472

IUPAC2-(2,4-dimethylphenoxy)-1H-pyrrole
SMILESCc1ccc(Oc2ccc[nH]2)c(C)c1
InChIInChI=1S/C12H13NO/c1-9-5-6-11(10(2)8-9)14-12-4-3-7-13-12/h3-8,13H,1-2H3
InChIKeyMUXCKAVQMBNMCD-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.42
Rot. Bonds2

About 2-(2,4-dimethylphenoxy)-1H-pyrrole

2-(2,4-dimethylphenoxy)-1H-pyrrole (PubChem CID 70421472) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1H-pyrrole.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1H-pyrrole
PubChem CID70421472
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(2,4-dimethylphenoxy)-1H-pyrrole
SMILESCc1ccc(Oc2ccc[nH]2)c(C)c1
InChIInChI=1S/C12H13NO/c1-9-5-6-11(10(2)8-9)14-12-4-3-7-13-12/h3-8,13H,1-2H3
InChIKeyMUXCKAVQMBNMCD-UHFFFAOYSA-N
XLogP3.42
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1H-pyrrole?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1H-pyrrole (CID 70421472) is 2-(2,4-dimethylphenoxy)-1H-pyrrole.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1H-pyrrole?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1H-pyrrole is Cc1ccc(Oc2ccc[nH]2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1H-pyrrole?
The InChIKey is MUXCKAVQMBNMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-5-6-11(10(2)8-9)14-12-4-3-7-13-12/h3-8,13H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1H-pyrrole?
2-(2,4-dimethylphenoxy)-1H-pyrrole has a molecular weight of 187.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1H-pyrrole is sourced from PubChem (CID 70421472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).