(6-bromo-1-benzothiophen-2-yl)-phenylmethanone

C15H9BrOS — CID 154718058

IUPAC(6-bromo-1-benzothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C15H9BrOS/c16-12-7-6-11-8-14(18-13(11)9-12)15(17)10-4-2-1-3-5-10/h1-9H
InChIKeyUMNOWPKJKUOPRP-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.89
Rot. Bonds2

About (6-bromo-1-benzothiophen-2-yl)-phenylmethanone

(6-bromo-1-benzothiophen-2-yl)-phenylmethanone (PubChem CID 154718058) has the molecular formula C15H9BrOS and a molecular weight of 317.21 g/mol. Its IUPAC name is (6-bromo-1-benzothiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-bromo-1-benzothiophen-2-yl)-phenylmethanone
PubChem CID154718058
Molecular FormulaC15H9BrOS
Molecular Weight317.21 g/mol
Exact Mass315.96
IUPAC Name(6-bromo-1-benzothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C15H9BrOS/c16-12-7-6-11-8-14(18-13(11)9-12)15(17)10-4-2-1-3-5-10/h1-9H
InChIKeyUMNOWPKJKUOPRP-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-bromo-1-benzothiophen-2-yl)-phenylmethanone 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 (6-bromo-1-benzothiophen-2-yl)-phenylmethanone?
The IUPAC name of (6-bromo-1-benzothiophen-2-yl)-phenylmethanone (CID 154718058) is (6-bromo-1-benzothiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (6-bromo-1-benzothiophen-2-yl)-phenylmethanone?
The canonical SMILES for (6-bromo-1-benzothiophen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc2ccc(Br)cc2s1.
What is the InChIKey of (6-bromo-1-benzothiophen-2-yl)-phenylmethanone?
The InChIKey is UMNOWPKJKUOPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrOS/c16-12-7-6-11-8-14(18-13(11)9-12)15(17)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (6-bromo-1-benzothiophen-2-yl)-phenylmethanone?
(6-bromo-1-benzothiophen-2-yl)-phenylmethanone has a molecular weight of 317.21 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-benzothiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 154718058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).