(2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone

C15H10Cl2O2S — CID 106600672

IUPAC(2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)C1CSc2ccccc2O1
InChIInChI=1S/C15H10Cl2O2S/c16-9-5-6-11(17)10(7-9)15(18)13-8-20-14-4-2-1-3-12(14)19-13/h1-7,13H,8H2
InChIKeyKRYNAAIVXITMDK-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.73
Rot. Bonds2

About (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone

(2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone (PubChem CID 106600672) has the molecular formula C15H10Cl2O2S and a molecular weight of 325.22 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone
PubChem CID106600672
Molecular FormulaC15H10Cl2O2S
Molecular Weight325.22 g/mol
Exact Mass323.98
IUPAC Name(2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)C1CSc2ccccc2O1
InChIInChI=1S/C15H10Cl2O2S/c16-9-5-6-11(17)10(7-9)15(18)13-8-20-14-4-2-1-3-12(14)19-13/h1-7,13H,8H2
InChIKeyKRYNAAIVXITMDK-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-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

2,3-dihydro-1,4-benzoxathiin-2-yl-(4-fluoro-3-methylphenyl)methanone
CID 106600673
2,3-dihydro-1,4-benzoxathiin-2-yl-(3-fluoro-4-pyridinyl)methanone
CID 106600818
2-(2,6-dichlorophenyl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)ethanone
CID 106600667
2,3-dihydro-1,4-benzoxathiin-2-yl-(4-methylphenyl)methanone
CID 106600800
(2-chloro-4,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 107475799
2,3-dihydro-1,4-benzoxathiin-2-yl(oxan-4-yl)methanone
CID 106600705
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106600749
2,3-dihydro-1,4-benzoxathiin-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782705
(5-chloro-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 65351116
(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9087960
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)hex-5-yn-1-one
CID 106600845
2,3-dihydro-1,4-benzoxathiin-2-yl-(1-propylpyrazol-4-yl)methanone
CID 106600693

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone (CID 106600672) is (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone is O=C(c1cc(Cl)ccc1Cl)C1CSc2ccccc2O1.
What is the InChIKey of (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone?
The InChIKey is KRYNAAIVXITMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2S/c16-9-5-6-11(17)10(7-9)15(18)13-8-20-14-4-2-1-3-12(14)19-13/h1-7,13H,8H2.
What are the key properties of (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone?
(2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone has a molecular weight of 325.22 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanone is sourced from PubChem (CID 106600672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).