2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone

C13H14BrClO2 — CID 115648637

IUPAC2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
SMILESO=C(COc1ccc(Br)cc1Cl)C1CCCC1
InChIInChI=1S/C13H14BrClO2/c14-10-5-6-13(11(15)7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9H,1-4,8H2
InChIKeyKMPYZKUBYCAPON-UHFFFAOYSA-N
MW317.61 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone

2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone (PubChem CID 115648637) has the molecular formula C13H14BrClO2 and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
PubChem CID115648637
Molecular FormulaC13H14BrClO2
Molecular Weight317.61 g/mol
Exact Mass315.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
SMILESO=C(COc1ccc(Br)cc1Cl)C1CCCC1
InChIInChI=1S/C13H14BrClO2/c14-10-5-6-13(11(15)7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9H,1-4,8H2
InChIKeyKMPYZKUBYCAPON-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

2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
CID 104752067
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
5-bromo-2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 115776936
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145
(2S)-1-[2-(4-bromo-2-chlorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 66264562
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone (CID 115648637) is 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone is O=C(COc1ccc(Br)cc1Cl)C1CCCC1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone?
The InChIKey is KMPYZKUBYCAPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClO2/c14-10-5-6-13(11(15)7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9H,1-4,8H2.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone?
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone 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-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone is sourced from PubChem (CID 115648637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).