2-(4-bromophenyl)-1-thiophen-2-ylethanone

C12H9BrOS — CID 12751639

IUPAC2-(4-bromophenyl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C12H9BrOS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7H,8H2
InChIKeyFLYCXKGMOQNSQZ-UHFFFAOYSA-N
MW281.17 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-bromophenyl)-1-thiophen-2-ylethanone

2-(4-bromophenyl)-1-thiophen-2-ylethanone (PubChem CID 12751639) has the molecular formula C12H9BrOS and a molecular weight of 281.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-thiophen-2-ylethanone
PubChem CID12751639
Molecular FormulaC12H9BrOS
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name2-(4-bromophenyl)-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C12H9BrOS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7H,8H2
InChIKeyFLYCXKGMOQNSQZ-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)anilino]phenyl]-1-thiophen-2-ylethanone
CID 160839324
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
CID 25237592
1-(4-methylphenyl)-2-[4-[4-(2-oxo-2-thiophen-2-ylethyl)benzoyl]phenyl]ethanone
CID 158137220
N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856376
1-thiophen-2-ylpropan-1-one
CID 26179
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
2-[5-[2-(4-bromophenyl)acetyl]-2-phenylthiophen-3-yl]acetic acid
CID 160667778
2-(3-methyl-4-pyridinyl)-1-thiophen-2-ylethanone
CID 58171199
[2-(4-bromophenyl)-3-[4-[2-(4-bromophenyl)-3-(thiophene-2-carbonyl)cyclopropyl]phenyl]cyclopropyl]-thiophen-2-ylmethanone
CID 10794720

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-bromophenyl)-1-thiophen-2-ylethanone (CID 12751639) is 2-(4-bromophenyl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-thiophen-2-ylethanone is O=C(Cc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of 2-(4-bromophenyl)-1-thiophen-2-ylethanone?
The InChIKey is FLYCXKGMOQNSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrOS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7H,8H2.
What are the key properties of 2-(4-bromophenyl)-1-thiophen-2-ylethanone?
2-(4-bromophenyl)-1-thiophen-2-ylethanone has a molecular weight of 281.17 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 12751639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).