2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone

C13H11Cl2NO2 — CID 60624435

IUPAC2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO2/c1-16-6-2-3-12(16)13(17)8-18-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3
InChIKeyIXPIUCCZDMFBCY-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.59
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone

2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 60624435) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID60624435
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO2/c1-16-6-2-3-12(16)13(17)8-18-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3
InChIKeyIXPIUCCZDMFBCY-UHFFFAOYSA-N
XLogP3.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411982
2-(3-acetylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60626481
4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzonitrile
CID 31094678
1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624081
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]phenyl]butan-2-one
CID 60623475
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 2642856
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
2-(3,4-dichlorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
CID 11337309

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone (CID 60624435) is 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is IXPIUCCZDMFBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-16-6-2-3-12(16)13(17)8-18-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 284.14 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 60624435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).