1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde

C15H17NO2 — CID 974668

IUPAC1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOc1ccc(C)cc1-n1c(C)cc(C=O)c1C
InChIInChI=1S/C15H17NO2/c1-10-5-6-15(18-4)14(7-10)16-11(2)8-13(9-17)12(16)3/h5-9H,1-4H3
InChIKeyWIRKFVCPTAFLKL-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.22
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde

1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde (PubChem CID 974668) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
PubChem CID974668
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SMILESCOc1ccc(C)cc1-n1c(C)cc(C=O)c1C
InChIInChI=1S/C15H17NO2/c1-10-5-6-15(18-4)14(7-10)16-11(2)8-13(9-17)12(16)3/h5-9H,1-4H3
InChIKeyWIRKFVCPTAFLKL-UHFFFAOYSA-N
XLogP3.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
methyl 4-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
CID 3755470
ethyl 4-hydroxy-5-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methylpyrrole-3-carboxylate
CID 135497771
2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine
CID 145362966
methyl (4Z)-4-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate
CID 126065833
methyl (4Z)-4-[[1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-methoxyphenyl)-2-methyl-5-oxopyrrole-3-carboxylate
CID 126066481
1-(2-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 882440
1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 24694826
1-(2,6-dimethylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 880088
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 2785417
6-hydroxy-1-(2-methoxy-5-methylphenyl)-4,5-dimethylpyridin-2-one
CID 23338600
1-(2,6-difluorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 28974630

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde (CID 974668) is 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde is COc1ccc(C)cc1-n1c(C)cc(C=O)c1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
The InChIKey is WIRKFVCPTAFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-5-6-15(18-4)14(7-10)16-11(2)8-13(9-17)12(16)3/h5-9H,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde?
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde is sourced from PubChem (CID 974668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).