2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

C17H21NO2 — CID 43412107

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)c2cccn2C)c1
InChIInChI=1S/C17H21NO2/c1-12(2)14-8-7-13(3)10-17(14)20-11-16(19)15-6-5-9-18(15)4/h5-10,12H,11H2,1-4H3
InChIKeyDZVJTSDDFDEXJA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.72
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43412107) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43412107
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCc1ccc(C(C)C)c(OCC(=O)c2cccn2C)c1
InChIInChI=1S/C17H21NO2/c1-12(2)14-8-7-13(3)10-17(14)20-11-16(19)15-6-5-9-18(15)4/h5-10,12H,11H2,1-4H3
InChIKeyDZVJTSDDFDEXJA-UHFFFAOYSA-N
XLogP3.72
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]acetamide
CID 95777426
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 43798789
(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411982
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (CID 43412107) is 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is Cc1ccc(C(C)C)c(OCC(=O)c2cccn2C)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is DZVJTSDDFDEXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)14-8-7-13(3)10-17(14)20-11-16(19)15-6-5-9-18(15)4/h5-10,12H,11H2,1-4H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43412107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).