2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one

C13H14BrClO2 — CID 79566329

IUPAC2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCOc1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClO2/c14-10-4-5-13(11(15)8-10)17-7-6-9-2-1-3-12(9)16/h4-5,8-9H,1-3,6-7H2
InChIKeyGXDVCBOONCUKCC-UHFFFAOYSA-N
MW317.61 g/mol
LogP4.24
Rot. Bonds4

About 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one

2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one (PubChem CID 79566329) has the molecular formula C13H14BrClO2 and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one
PubChem CID79566329
Molecular FormulaC13H14BrClO2
Molecular Weight317.61 g/mol
Exact Mass315.99
IUPAC Name2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCOc1ccc(Br)cc1Cl
InChIInChI=1S/C13H14BrClO2/c14-10-4-5-13(11(15)8-10)17-7-6-9-2-1-3-12(9)16/h4-5,8-9H,1-3,6-7H2
InChIKeyGXDVCBOONCUKCC-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
CID 79566028
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
2-[2-(4-chloro-3-fluorophenoxy)ethyl]cyclopentan-1-one
CID 82707034
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
CID 79577646
N-[4-(4-bromo-2-chlorophenoxy)butyl]cyclopropanamine
CID 62485655
3-(4-bromo-2-chlorophenoxy)cyclohexan-1-one
CID 79618488
1-[4-(4-bromo-2-chlorophenoxy)butyl]azepan-1-ium
CID 2194977
1-[4-(4-bromo-2-chlorophenoxy)butyl]pyrrolidine;oxalic acid
CID 2923768
3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide
CID 79577781
1-[3-(4-bromo-2-chlorophenoxy)propyl]piperidine;oxalic acid
CID 2924033

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one (CID 79566329) is 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one is O=C1CCCC1CCOc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one?
The InChIKey is GXDVCBOONCUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClO2/c14-10-4-5-13(11(15)8-10)17-7-6-9-2-1-3-12(9)16/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one?
2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one has a molecular weight of 317.61 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-chlorophenoxy)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79566329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).