(6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone

C21H14O3S — CID 22753228

IUPAC(6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone
SMILESO=C(C1=C(c2ccccc2)S(=O)c2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C21H14O3S/c22-16-11-12-17-18(13-16)25(24)21(15-9-5-2-6-10-15)19(17)20(23)14-7-3-1-4-8-14/h1-13,22H
InChIKeyMOOXYMCJBPNGNP-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.26
Rot. Bonds3

About (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone

(6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone (PubChem CID 22753228) has the molecular formula C21H14O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone
PubChem CID22753228
Molecular FormulaC21H14O3S
Molecular Weight346.41 g/mol
Exact Mass346.07
IUPAC Name(6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone
SMILESO=C(C1=C(c2ccccc2)S(=O)c2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C21H14O3S/c22-16-11-12-17-18(13-16)25(24)21(15-9-5-2-6-10-15)19(17)20(23)14-7-3-1-4-8-14/h1-13,22H
InChIKeyMOOXYMCJBPNGNP-UHFFFAOYSA-N
XLogP4.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-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-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone?
The IUPAC name of (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone (CID 22753228) is (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone?
The canonical SMILES for (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone is O=C(C1=C(c2ccccc2)S(=O)c2cc(O)ccc21)c1ccccc1.
What is the InChIKey of (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone?
The InChIKey is MOOXYMCJBPNGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3S/c22-16-11-12-17-18(13-16)25(24)21(15-9-5-2-6-10-15)19(17)20(23)14-7-3-1-4-8-14/h1-13,22H.
What are the key properties of (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone?
(6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone has a molecular weight of 346.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 22753228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).