2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H15Cl2NO2 — CID 60623947

IUPAC2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2cc(Cl)cc(Cl)c2)c(C)n1C
InChIInChI=1S/C15H15Cl2NO2/c1-9-4-14(10(2)18(9)3)15(19)8-20-13-6-11(16)5-12(17)7-13/h4-7H,8H2,1-3H3
InChIKeyQWDUFPLPYMMOBU-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.21
Rot. Bonds4

About 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 60623947) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID60623947
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2cc(Cl)cc(Cl)c2)c(C)n1C
InChIInChI=1S/C15H15Cl2NO2/c1-9-4-14(10(2)18(9)3)15(19)8-20-13-6-11(16)5-12(17)7-13/h4-7H,8H2,1-3H3
InChIKeyQWDUFPLPYMMOBU-UHFFFAOYSA-N
XLogP4.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 60623947) is 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2cc(Cl)cc(Cl)c2)c(C)n1C.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is QWDUFPLPYMMOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-9-4-14(10(2)18(9)3)15(19)8-20-13-6-11(16)5-12(17)7-13/h4-7H,8H2,1-3H3.
What are the key properties of 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 312.20 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 60623947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).