1-(4-bromophenyl)-2-cyclobutylethanone

C12H13BrO — CID 65458564

IUPAC1-(4-bromophenyl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrO/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9H,1-3,8H2
InChIKeyZGHUEKKSPBYSET-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.82
Rot. Bonds3

About 1-(4-bromophenyl)-2-cyclobutylethanone

1-(4-bromophenyl)-2-cyclobutylethanone (PubChem CID 65458564) has the molecular formula C12H13BrO and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-cyclobutylethanone
PubChem CID65458564
Molecular FormulaC12H13BrO
Molecular Weight253.14 g/mol
Exact Mass252.01
IUPAC Name1-(4-bromophenyl)-2-cyclobutylethanone
SMILESO=C(CC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrO/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9H,1-3,8H2
InChIKeyZGHUEKKSPBYSET-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
CID 22719915
2-[2-(4-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 53411629
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
1-(4-bromophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66321803
1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 66570596
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-cyclopentyl-1-(4-ethylsulfanylphenyl)ethanone
CID 106848056
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-cyclobutylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-cyclobutylethanone (CID 65458564) is 1-(4-bromophenyl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-cyclobutylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-cyclobutylethanone is O=C(CC1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-cyclobutylethanone?
The InChIKey is ZGHUEKKSPBYSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9H,1-3,8H2.
What are the key properties of 1-(4-bromophenyl)-2-cyclobutylethanone?
1-(4-bromophenyl)-2-cyclobutylethanone has a molecular weight of 253.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-cyclobutylethanone is sourced from PubChem (CID 65458564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).