2-(4-bromophenoxy)-1-cyclohexylethanone

C14H17BrO2 — CID 115582228

IUPAC2-(4-bromophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C14H17BrO2/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyZDHBCUIEQVNWGG-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.98
Rot. Bonds4

About 2-(4-bromophenoxy)-1-cyclohexylethanone

2-(4-bromophenoxy)-1-cyclohexylethanone (PubChem CID 115582228) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-cyclohexylethanone
PubChem CID115582228
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-(4-bromophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C14H17BrO2/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyZDHBCUIEQVNWGG-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
2-(3-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113449047
2-(4-bromo-3-methylphenoxy)-1-cyclopentylethanone
CID 104752208
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
CID 55664981
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-cyclohexylethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-cyclohexylethanone (CID 115582228) is 2-(4-bromophenoxy)-1-cyclohexylethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-cyclohexylethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-cyclohexylethanone is O=C(COc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-cyclohexylethanone?
The InChIKey is ZDHBCUIEQVNWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 2-(4-bromophenoxy)-1-cyclohexylethanone?
2-(4-bromophenoxy)-1-cyclohexylethanone has a molecular weight of 297.19 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-cyclohexylethanone is sourced from PubChem (CID 115582228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).