2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone

C14H13BrOS — CID 114969742

IUPAC2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2sccc2Br)c1C
InChIInChI=1S/C14H13BrOS/c1-9-4-3-5-11(10(9)2)13(16)8-14-12(15)6-7-17-14/h3-7H,8H2,1-2H3
InChIKeyRTKHJUIDOCMTCV-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.55
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone

2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone (PubChem CID 114969742) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
PubChem CID114969742
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2sccc2Br)c1C
InChIInChI=1S/C14H13BrOS/c1-9-4-3-5-11(10(9)2)13(16)8-14-12(15)6-7-17-14/h3-7H,8H2,1-2H3
InChIKeyRTKHJUIDOCMTCV-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

1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 114969803
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
2-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969747
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)ethanone
CID 114969828
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(3-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610459
3-[(3-bromothiophen-2-yl)methylamino]-2-methylbenzamide
CID 115379961
2-[(3-bromothiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 107112314
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone (CID 114969742) is 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone is Cc1cccc(C(=O)Cc2sccc2Br)c1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone?
The InChIKey is RTKHJUIDOCMTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-9-4-3-5-11(10(9)2)13(16)8-14-12(15)6-7-17-14/h3-7H,8H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone?
2-(3-bromothiophen-2-yl)-1-(2,3-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-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 114969742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).