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

C13H14Cl2O — CID 107003830

IUPAC2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
SMILESCC1(C)CC1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9H,6-7H2,1-2H3
InChIKeyRZKATYNGVJNSLV-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.15
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone (PubChem CID 107003830) has the molecular formula C13H14Cl2O and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
PubChem CID107003830
Molecular FormulaC13H14Cl2O
Molecular Weight257.16 g/mol
Exact Mass256.04
IUPAC Name2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
SMILESCC1(C)CC1C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9H,6-7H2,1-2H3
InChIKeyRZKATYNGVJNSLV-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone (CID 107003830) is 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone is CC1(C)CC1C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
The InChIKey is RZKATYNGVJNSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone has a molecular weight of 257.16 g/mol, XLogP of 4.15, 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-(2,2-dimethylcyclopropyl)ethanone is sourced from PubChem (CID 107003830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).