2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone

C12H12Cl2O — CID 65420161

IUPAC2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
SMILESCC1CC1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2O/c1-7-5-8(7)12(15)6-9-10(13)3-2-4-11(9)14/h2-4,7-8H,5-6H2,1H3
InChIKeyMBGHKEARWZQVIM-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.76
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone

2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone (PubChem CID 65420161) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
PubChem CID65420161
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
SMILESCC1CC1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2O/c1-7-5-8(7)12(15)6-9-10(13)3-2-4-11(9)14/h2-4,7-8H,5-6H2,1H3
InChIKeyMBGHKEARWZQVIM-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
CID 107003830
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572464
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105086176
2-[1-(2,6-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83925000
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
CID 61080285
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,6-dichlorophenyl)ethanone
CID 79968368
2-(2,6-dichlorophenyl)-1-(1,4-dithian-2-yl)ethanone
CID 79972598

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone (CID 65420161) is 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone is CC1CC1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone?
The InChIKey is MBGHKEARWZQVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c1-7-5-8(7)12(15)6-9-10(13)3-2-4-11(9)14/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone?
2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone has a molecular weight of 243.13 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone is sourced from PubChem (CID 65420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).