2-(2-bromophenoxy)-1-cyclohexylethanone

C14H17BrO2 — CID 115578561

IUPAC2-(2-bromophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrO2/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeySPEXKLQELBNCPI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.98
Rot. Bonds4

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

2-(2-bromophenoxy)-1-cyclohexylethanone (PubChem CID 115578561) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-cyclohexylethanone
PubChem CID115578561
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-(2-bromophenoxy)-1-cyclohexylethanone
SMILESO=C(COc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrO2/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeySPEXKLQELBNCPI-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

2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113267861
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
2-(2-cyclopropyl-2-oxoethoxy)benzamide
CID 63913562

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-cyclohexylethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-cyclohexylethanone (CID 115578561) is 2-(2-bromophenoxy)-1-cyclohexylethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-cyclohexylethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-cyclohexylethanone is O=C(COc1ccccc1Br)C1CCCCC1.
What is the InChIKey of 2-(2-bromophenoxy)-1-cyclohexylethanone?
The InChIKey is SPEXKLQELBNCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 2-(2-bromophenoxy)-1-cyclohexylethanone?
2-(2-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-(2-bromophenoxy)-1-cyclohexylethanone is sourced from PubChem (CID 115578561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).