(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

C13H10BrClOS — CID 81291094

IUPAC(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)c(Cl)c2)c(C)s1
InChIInChI=1S/C13H10BrClOS/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6H,1-2H3
InChIKeySJHZNEFDELCXGB-UHFFFAOYSA-N
MW329.65 g/mol
LogP5.01
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone

(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 81291094) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID81291094
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)c(Cl)c2)c(C)s1
InChIInChI=1S/C13H10BrClOS/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6H,1-2H3
InChIKeySJHZNEFDELCXGB-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.65
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092
(4-bromo-3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970869
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
(3-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanone
CID 65279480
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(2-bromo-5-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161417
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(4-bromo-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116546991
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 81291094) is (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(Br)c(Cl)c2)c(C)s1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is SJHZNEFDELCXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6H,1-2H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 329.65 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 81291094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).