2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H15BrClNO2 — CID 2081601

IUPAC2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)cc2Br)c(C)n1C
InChIInChI=1S/C15H15BrClNO2/c1-9-6-12(10(2)18(9)3)14(19)8-20-15-5-4-11(17)7-13(15)16/h4-7H,8H2,1-3H3
InChIKeyBZAPALHBFZHCMB-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 2081601) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID2081601
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)cc2Br)c(C)n1C
InChIInChI=1S/C15H15BrClNO2/c1-9-6-12(10(2)18(9)3)14(19)8-20-15-5-4-11(17)7-13(15)16/h4-7H,8H2,1-3H3
InChIKeyBZAPALHBFZHCMB-UHFFFAOYSA-N
XLogP4.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromo-2-fluorophenoxy)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone
CID 4781434
2-(2-Chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 7999216
2-(2-Bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2105329
2-(2-Bromo-4-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 2525922
2-(4-Bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 2527844
2-(2-Bromophenoxy)-1-(6-chloro-3-pyridinyl)ethanone
CID 54764842
2-(3-Chloro-4-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 16232940
2-(2-Chloro-4-fluorophenoxy)-1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 45837961
2-(4-Bromophenoxy)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2386460
1-[1-(4-Chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-fluorophenoxy)ethanone
CID 2481179
2-(2-Bromo-4-chlorophenoxy)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 3611859
1-[1-(4-Bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(3-chloro-4-fluorophenoxy)ethanone
CID 3882312

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 2081601) is 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2ccc(Cl)cc2Br)c(C)n1C.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is BZAPALHBFZHCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-9-6-12(10(2)18(9)3)14(19)8-20-15-5-4-11(17)7-13(15)16/h4-7H,8H2,1-3H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 356.65 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 2081601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).