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

C14H17BrO3 — CID 104705269

IUPAC2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
SMILESCOc1ccc(OCC(=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C14H17BrO3/c1-17-11-6-7-14(12(15)8-11)18-9-13(16)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyQRKQMWHKJFEOKK-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.60
Rot. Bonds5

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

2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone (PubChem CID 104705269) has the molecular formula C14H17BrO3 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
PubChem CID104705269
Molecular FormulaC14H17BrO3
Molecular Weight313.19 g/mol
Exact Mass312.04
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
SMILESCOc1ccc(OCC(=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C14H17BrO3/c1-17-11-6-7-14(12(15)8-11)18-9-13(16)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3
InChIKeyQRKQMWHKJFEOKK-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104751738
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
2-(4-bromo-3-methylphenoxy)-1-cyclopentylethanone
CID 104752208
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
2-(4-bromo-2-methoxyphenoxy)-1-cyclopropylethanone
CID 58579838
2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
CID 104752067
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone (CID 104705269) is 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone is COc1ccc(OCC(=O)C2CCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone?
The InChIKey is QRKQMWHKJFEOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO3/c1-17-11-6-7-14(12(15)8-11)18-9-13(16)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone?
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone has a molecular weight of 313.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone is sourced from PubChem (CID 104705269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).