1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole

C14H17NO — CID 39243590

IUPAC1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
SMILESCOc1ccc(C)cc1-n1c(C)ccc1C
InChIInChI=1S/C14H17NO/c1-10-5-8-14(16-4)13(9-10)15-11(2)6-7-12(15)3/h5-9H,1-4H3
InChIKeyPTMVGUXMPMABIM-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.41
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole

1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole (PubChem CID 39243590) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
PubChem CID39243590
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
SMILESCOc1ccc(C)cc1-n1c(C)ccc1C
InChIInChI=1S/C14H17NO/c1-10-5-8-14(16-4)13(9-10)15-11(2)6-7-12(15)3/h5-9H,1-4H3
InChIKeyPTMVGUXMPMABIM-UHFFFAOYSA-N
XLogP3.41
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.41
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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Related Compounds

1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974668
9-(2-methoxy-5-methylphenyl)-3-methyl-6-methylsulfanylcarbazole
CID 144565348
6-hydroxy-1-(2-methoxy-5-methylphenyl)-4,5-dimethylpyridin-2-one
CID 23338600
1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
CID 107629535
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
4-ethyl-3-(2-methoxy-5-methylphenyl)-1H-imidazole-2-thione
CID 81337916
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
1-(2-methoxy-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 43090977
2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol
CID 2125369
(2-methoxy-5-methylphenyl)boronic acid
CID 2773485
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 82285789

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole (CID 39243590) is 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole is COc1ccc(C)cc1-n1c(C)ccc1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole?
The InChIKey is PTMVGUXMPMABIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-5-8-14(16-4)13(9-10)15-11(2)6-7-12(15)3/h5-9H,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole?
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole has a molecular weight of 215.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 39243590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).