2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone

C14H13BrOS — CID 114969436

IUPAC2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrOS/c1-9-3-4-10(2)13(5-9)14(16)7-12-6-11(15)8-17-12/h3-6,8H,7H2,1-2H3
InChIKeyCZJIVOSFXZJPIZ-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.55
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone

2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 114969436) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
PubChem CID114969436
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)Cc2cc(Br)cs2)c1
InChIInChI=1S/C14H13BrOS/c1-9-3-4-10(2)13(5-9)14(16)7-12-6-11(15)8-17-12/h3-6,8H,7H2,1-2H3
InChIKeyCZJIVOSFXZJPIZ-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877646
2-(4-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105092387
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105092482
2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969425
1-(5-bromo-2-methylphenyl)-2-thiophen-3-ylethanone
CID 65307868
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969477

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone (CID 114969436) is 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)Cc2cc(Br)cs2)c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is CZJIVOSFXZJPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-9-3-4-10(2)13(5-9)14(16)7-12-6-11(15)8-17-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 309.23 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 114969436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).