1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone

C14H12Br2OS — CID 114963430

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H12Br2OS/c1-2-9-3-5-10(6-4-9)7-12(17)13-8-11(15)14(16)18-13/h3-6,8H,2,7H2,1H3
InChIKeyUIAKIMUGFUGZMJ-UHFFFAOYSA-N
MW388.12 g/mol
LogP5.26
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone

1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone (PubChem CID 114963430) has the molecular formula C14H12Br2OS and a molecular weight of 388.12 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
PubChem CID114963430
Molecular FormulaC14H12Br2OS
Molecular Weight388.12 g/mol
Exact Mass385.90
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C14H12Br2OS/c1-2-9-3-5-10(6-4-9)7-12(17)13-8-11(15)14(16)18-13/h3-6,8H,2,7H2,1H3
InChIKeyUIAKIMUGFUGZMJ-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.12
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
4,5-dibromo-N'-(4-ethylbenzoyl)thiophene-2-carbohydrazide
CID 18291485
1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
CID 115799108
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
1-(4,5-dibromothiophen-2-yl)-4-methylpent-4-en-1-one
CID 115802878
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
CID 114966279
1-(4,5-dibromothiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 115778844
1-(4,5-dibromothiophen-2-yl)decan-1-one
CID 80532833

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone (CID 114963430) is 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone is CCc1ccc(CC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone?
The InChIKey is UIAKIMUGFUGZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2OS/c1-2-9-3-5-10(6-4-9)7-12(17)13-8-11(15)14(16)18-13/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone?
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone has a molecular weight of 388.12 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone is sourced from PubChem (CID 114963430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).