[3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone

C23H17BrO2S — CID 139387930

IUPAC[3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc2c(-c3ccc(Br)cc3)c(C(=O)c3ccccc3C)sc2c1
InChIInChI=1S/C23H17BrO2S/c1-14-5-3-4-6-18(14)22(25)23-21(15-7-9-16(24)10-8-15)19-12-11-17(26-2)13-20(19)27-23/h3-13H,1-2H3
InChIKeyRDWMOTCZAUDRCR-UHFFFAOYSA-N
MW437.36 g/mol
LogP6.88
Rot. Bonds4

About [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone

[3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone (PubChem CID 139387930) has the molecular formula C23H17BrO2S and a molecular weight of 437.36 g/mol. Its IUPAC name is [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
PubChem CID139387930
Molecular FormulaC23H17BrO2S
Molecular Weight437.36 g/mol
Exact Mass436.01
IUPAC Name[3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone
SMILESCOc1ccc2c(-c3ccc(Br)cc3)c(C(=O)c3ccccc3C)sc2c1
InChIInChI=1S/C23H17BrO2S/c1-14-5-3-4-6-18(14)22(25)23-21(15-7-9-16(24)10-8-15)19-12-11-17(26-2)13-20(19)27-23/h3-13H,1-2H3
InChIKeyRDWMOTCZAUDRCR-UHFFFAOYSA-N
XLogP6.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.36
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone (CID 139387930) is [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone is COc1ccc2c(-c3ccc(Br)cc3)c(C(=O)c3ccccc3C)sc2c1.
What is the InChIKey of [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
The InChIKey is RDWMOTCZAUDRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrO2S/c1-14-5-3-4-6-18(14)22(25)23-21(15-7-9-16(24)10-8-15)19-12-11-17(26-2)13-20(19)27-23/h3-13H,1-2H3.
What are the key properties of [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone?
[3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone has a molecular weight of 437.36 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-6-methoxy-1-benzothiophen-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 139387930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).