(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C13H8Cl2O3S — CID 43344746

IUPAC(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)C1COc2ccccc2O1
InChIInChI=1S/C13H8Cl2O3S/c14-11-5-7(13(15)19-11)12(16)10-6-17-8-3-1-2-4-9(8)18-10/h1-5,10H,6H2
InChIKeyPZVZIMTUIXZMBN-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.08
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 43344746) has the molecular formula C13H8Cl2O3S and a molecular weight of 315.18 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID43344746
Molecular FormulaC13H8Cl2O3S
Molecular Weight315.18 g/mol
Exact Mass313.96
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)C1COc2ccccc2O1
InChIInChI=1S/C13H8Cl2O3S/c14-11-5-7(13(15)19-11)12(16)10-6-17-8-3-1-2-4-9(8)18-10/h1-5,10H,6H2
InChIKeyPZVZIMTUIXZMBN-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 107475799
(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 65351116
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63708637
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 65351066
2,3-dihydro-1,4-benzodioxin-3-yl-(2-ethoxyphenyl)methanone
CID 65351114
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
2,3-dihydro-1,4-benzodioxin-3-yl-(5-ethylthiophen-2-yl)methanone
CID 43338852
(4-bromo-5-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 102826493
2,3-dihydro-1,4-benzodioxin-3-yl-(2,4,6-trifluorophenyl)methanone
CID 43338535
2,3-dihydro-1,4-benzodioxin-3-yl-(4-methylphenyl)methanone
CID 43338806
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 43344746) is (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)C1COc2ccccc2O1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is PZVZIMTUIXZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O3S/c14-11-5-7(13(15)19-11)12(16)10-6-17-8-3-1-2-4-9(8)18-10/h1-5,10H,6H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 315.18 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 43344746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).