2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone

C18H17BrO — CID 114601706

IUPAC2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C18H17BrO/c19-15-10-8-13(9-11-15)12-18(20)17-7-2-1-6-16(17)14-4-3-5-14/h1-2,6-11,14H,3-5,12H2
InChIKeyPRLFUOFCWNZVJF-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.14
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone

2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone (PubChem CID 114601706) has the molecular formula C18H17BrO and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
PubChem CID114601706
Molecular FormulaC18H17BrO
Molecular Weight329.24 g/mol
Exact Mass328.05
IUPAC Name2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C18H17BrO/c19-15-10-8-13(9-11-15)12-18(20)17-7-2-1-6-16(17)14-4-3-5-14/h1-2,6-11,14H,3-5,12H2
InChIKeyPRLFUOFCWNZVJF-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
1-(2-cyclobutylphenyl)-2-(3-methoxyphenyl)ethanone
CID 114601759
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
1-(2-cyclobutylphenyl)-3,4,4-trimethylpentan-1-one
CID 115813607
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
CID 114607600
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
2-cyclopentylbenzohydrazide
CID 68852694

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone (CID 114601706) is 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone is O=C(Cc1ccc(Br)cc1)c1ccccc1C1CCC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone?
The InChIKey is PRLFUOFCWNZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO/c19-15-10-8-13(9-11-15)12-18(20)17-7-2-1-6-16(17)14-4-3-5-14/h1-2,6-11,14H,3-5,12H2.
What are the key properties of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone?
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone has a molecular weight of 329.24 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone is sourced from PubChem (CID 114601706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).