(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone

C15H14BrClOS — CID 114024414

IUPAC(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(Cl)cc2Br)s1
InChIInChI=1S/C15H14BrClOS/c1-15(2,3)13-7-6-12(19-13)14(18)10-5-4-9(17)8-11(10)16/h4-8H,1-3H3
InChIKeyQEKYRWVJKKSKRH-UHFFFAOYSA-N
MW357.70 g/mol
LogP5.69
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone

(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone (PubChem CID 114024414) has the molecular formula C15H14BrClOS and a molecular weight of 357.70 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone
PubChem CID114024414
Molecular FormulaC15H14BrClOS
Molecular Weight357.70 g/mol
Exact Mass355.96
IUPAC Name(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(Cl)cc2Br)s1
InChIInChI=1S/C15H14BrClOS/c1-15(2,3)13-7-6-12(19-13)14(18)10-5-4-9(17)8-11(10)16/h4-8H,1-3H3
InChIKeyQEKYRWVJKKSKRH-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.70
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-tert-butylthiophen-2-yl)-(3,5-dibromophenyl)methanone
CID 114023494
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 107987212
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 43805082

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone (CID 114024414) is (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone is CC(C)(C)c1ccc(C(=O)c2ccc(Cl)cc2Br)s1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone?
The InChIKey is QEKYRWVJKKSKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClOS/c1-15(2,3)13-7-6-12(19-13)14(18)10-5-4-9(17)8-11(10)16/h4-8H,1-3H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone?
(2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone has a molecular weight of 357.70 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanone is sourced from PubChem (CID 114024414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).