[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone

C22H15BrO2S — CID 22753336

IUPAC[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(Br)cc3)sc3ccccc23)cc1
InChIInChI=1S/C22H15BrO2S/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13H,1H3
InChIKeyBUXNZLNRSWTDFO-UHFFFAOYSA-N
MW423.33 g/mol
LogP6.57
Rot. Bonds4

About [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone

[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 22753336) has the molecular formula C22H15BrO2S and a molecular weight of 423.33 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
PubChem CID22753336
Molecular FormulaC22H15BrO2S
Molecular Weight423.33 g/mol
Exact Mass422.00
IUPAC Name[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccc(Br)cc3)sc3ccccc23)cc1
InChIInChI=1S/C22H15BrO2S/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13H,1H3
InChIKeyBUXNZLNRSWTDFO-UHFFFAOYSA-N
XLogP6.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.33
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)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

(4-bromophenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 100980640
[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 18318529
[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(1-methylazepan-1-ium-1-carbonyl)phenyl]methanone
CID 163715409
[4-[3-(4-hydroxybenzoyl)-1-benzothiophen-2-yl]phenyl] propanoate
CID 22753270
(4-methoxyphenyl)-[2-(2-nitrophenyl)-1-benzothiophen-3-yl]methanone
CID 46228262
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[4-[6-ethoxy-3-(4-methoxybenzoyl)-1-benzothiophen-2-yl]phenyl] acetate
CID 22753274
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
[2-(4-bromophenyl)-6-[tert-butyl(dimethyl)silyl]oxy-1-benzothiophen-3-yl]-(4-fluorophenyl)methanone
CID 177266090
2-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]-N,N-dimethylacetamide
CID 15338685
methyl 5-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 25058323
methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 54390123

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone (CID 22753336) is [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(-c3ccc(Br)cc3)sc3ccccc23)cc1.
What is the InChIKey of [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is BUXNZLNRSWTDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrO2S/c1-25-17-12-8-14(9-13-17)21(24)20-18-4-2-3-5-19(18)26-22(20)15-6-10-16(23)11-7-15/h2-13H,1H3.
What are the key properties of [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone?
[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 423.33 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 22753336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).