10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one

C20H12O2S — CID 24815843

IUPAC10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one
SMILESO=C(C=C1c2ccccc2C(=O)c2ccccc21)c1cccs1
InChIInChI=1S/C20H12O2S/c21-18(19-10-5-11-23-19)12-17-13-6-1-3-8-15(13)20(22)16-9-4-2-7-14(16)17/h1-12H
InChIKeyYGPSPUNATNXTBR-UHFFFAOYSA-N
MW316.38 g/mol
LogP4.61
Rot. Bonds2

About 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one

10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one (PubChem CID 24815843) has the molecular formula C20H12O2S and a molecular weight of 316.38 g/mol. Its IUPAC name is 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one.

Molecular Properties

Compound Name10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one
PubChem CID24815843
Molecular FormulaC20H12O2S
Molecular Weight316.38 g/mol
Exact Mass316.06
IUPAC Name10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one
SMILESO=C(C=C1c2ccccc2C(=O)c2ccccc21)c1cccs1
InChIInChI=1S/C20H12O2S/c21-18(19-10-5-11-23-19)12-17-13-6-1-3-8-15(13)20(22)16-9-4-2-7-14(16)17/h1-12H
InChIKeyYGPSPUNATNXTBR-UHFFFAOYSA-N
XLogP4.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one 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 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one?
The IUPAC name of 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one (CID 24815843) is 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one.
What is the SMILES notation for 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one?
The canonical SMILES for 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one is O=C(C=C1c2ccccc2C(=O)c2ccccc21)c1cccs1.
What is the InChIKey of 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one?
The InChIKey is YGPSPUNATNXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O2S/c21-18(19-10-5-11-23-19)12-17-13-6-1-3-8-15(13)20(22)16-9-4-2-7-14(16)17/h1-12H.
What are the key properties of 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one?
10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one has a molecular weight of 316.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-oxo-2-thiophen-2-ylethylidene)anthracen-9-one is sourced from PubChem (CID 24815843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).