3-(2,6-dichlorobenzoyl)cyclohexan-1-one

C13H12Cl2O2 — CID 79625699

IUPAC3-(2,6-dichlorobenzoyl)cyclohexan-1-one
SMILESO=C1CCCC(C(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H12Cl2O2/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8H,1,3-4,7H2
InChIKeyFBRUFZANGDZJLC-UHFFFAOYSA-N
MW271.14 g/mol
LogP3.94
Rot. Bonds2

About 3-(2,6-dichlorobenzoyl)cyclohexan-1-one

3-(2,6-dichlorobenzoyl)cyclohexan-1-one (PubChem CID 79625699) has the molecular formula C13H12Cl2O2 and a molecular weight of 271.14 g/mol. Its IUPAC name is 3-(2,6-dichlorobenzoyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2,6-dichlorobenzoyl)cyclohexan-1-one
PubChem CID79625699
Molecular FormulaC13H12Cl2O2
Molecular Weight271.14 g/mol
Exact Mass270.02
IUPAC Name3-(2,6-dichlorobenzoyl)cyclohexan-1-one
SMILESO=C1CCCC(C(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H12Cl2O2/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8H,1,3-4,7H2
InChIKeyFBRUFZANGDZJLC-UHFFFAOYSA-N
XLogP3.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorobenzoyl)cyclohexan-1-one?
The IUPAC name of 3-(2,6-dichlorobenzoyl)cyclohexan-1-one (CID 79625699) is 3-(2,6-dichlorobenzoyl)cyclohexan-1-one.
What is the SMILES notation for 3-(2,6-dichlorobenzoyl)cyclohexan-1-one?
The canonical SMILES for 3-(2,6-dichlorobenzoyl)cyclohexan-1-one is O=C1CCCC(C(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 3-(2,6-dichlorobenzoyl)cyclohexan-1-one?
The InChIKey is FBRUFZANGDZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O2/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 3-(2,6-dichlorobenzoyl)cyclohexan-1-one?
3-(2,6-dichlorobenzoyl)cyclohexan-1-one has a molecular weight of 271.14 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorobenzoyl)cyclohexan-1-one is sourced from PubChem (CID 79625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).