1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone

C19H14Cl2O2S — CID 58615731

IUPAC1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone
SMILESCOc1ccc(-c2cccs2)cc1CC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2O2S/c1-23-17-8-7-12(18-6-3-9-24-18)10-13(17)11-16(22)19-14(20)4-2-5-15(19)21/h2-10H,11H2,1H3
InChIKeyGNODKWCJGKVRDX-UHFFFAOYSA-N
MW377.29 g/mol
LogP6.16
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone

1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone (PubChem CID 58615731) has the molecular formula C19H14Cl2O2S and a molecular weight of 377.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone
PubChem CID58615731
Molecular FormulaC19H14Cl2O2S
Molecular Weight377.29 g/mol
Exact Mass376.01
IUPAC Name1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone
SMILESCOc1ccc(-c2cccs2)cc1CC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H14Cl2O2S/c1-23-17-8-7-12(18-6-3-9-24-18)10-13(17)11-16(22)19-14(20)4-2-5-15(19)21/h2-10H,11H2,1H3
InChIKeyGNODKWCJGKVRDX-UHFFFAOYSA-N
XLogP6.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.29
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone 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 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone (CID 58615731) is 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone is COc1ccc(-c2cccs2)cc1CC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone?
The InChIKey is GNODKWCJGKVRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O2S/c1-23-17-8-7-12(18-6-3-9-24-18)10-13(17)11-16(22)19-14(20)4-2-5-15(19)21/h2-10H,11H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone?
1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone has a molecular weight of 377.29 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(2-methoxy-5-thiophen-2-ylphenyl)ethanone is sourced from PubChem (CID 58615731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).