2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone

C17H18ClNO2 — CID 7999216

IUPAC2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccccc2Cl)c(C)n1C1CC1
InChIInChI=1S/C17H18ClNO2/c1-11-9-14(12(2)19(11)13-7-8-13)16(20)10-21-17-6-4-3-5-15(17)18/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyCCWSXCLDJGEWQY-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.35
Rot. Bonds5

About 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone

2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 7999216) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID7999216
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccccc2Cl)c(C)n1C1CC1
InChIInChI=1S/C17H18ClNO2/c1-11-9-14(12(2)19(11)13-7-8-13)16(20)10-21-17-6-4-3-5-15(17)18/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyCCWSXCLDJGEWQY-UHFFFAOYSA-N
XLogP4.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 1537017
2-[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
CID 2525555
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(3-nitrophenoxy)ethanone
CID 4793954
1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 889247
2-(2-Bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2081601
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2424508
[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704908
[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912239
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone
CID 2632406
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8605707
2-(2-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethoxy)benzonitrile
CID 8001631
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2411576

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 7999216) is 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2ccccc2Cl)c(C)n1C1CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is CCWSXCLDJGEWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-9-14(12(2)19(11)13-7-8-13)16(20)10-21-17-6-4-3-5-15(17)18/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 303.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 7999216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).