5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

C16H11Cl2NO3S — CID 67986890

IUPAC5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(OCc3cccc(Cl)c3Cl)cc2)S(=O)N1
InChIInChI=1S/C16H11Cl2NO3S/c17-13-3-1-2-11(16(13)18)9-22-12-6-4-10(5-7-12)14-8-15(20)19-23(14)21/h1-8H,9H2,(H,19,20)
InChIKeyKOQHCXAMMPAFFO-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.71
Rot. Bonds4

About 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one

5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (PubChem CID 67986890) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
PubChem CID67986890
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC Name5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(c2ccc(OCc3cccc(Cl)c3Cl)cc2)S(=O)N1
InChIInChI=1S/C16H11Cl2NO3S/c17-13-3-1-2-11(16(13)18)9-22-12-6-4-10(5-7-12)14-8-15(20)19-23(14)21/h1-8H,9H2,(H,19,20)
InChIKeyKOQHCXAMMPAFFO-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2-methylphenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67972149
5-[4-[[3-[4-[(2R)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67121839
1,2-dichloro-3-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]benzene
CID 107309244
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107305705
ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107305560
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306798
1-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 107305773
1,2-dichloro-3-(2-phenoxyethyl)benzene
CID 91220321
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107305709
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one (CID 67986890) is 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(c2ccc(OCc3cccc(Cl)c3Cl)cc2)S(=O)N1.
What is the InChIKey of 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is KOQHCXAMMPAFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c17-13-3-1-2-11(16(13)18)9-22-12-6-4-10(5-7-12)14-8-15(20)19-23(14)21/h1-8H,9H2,(H,19,20).
What are the key properties of 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one?
5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 368.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,3-dichlorophenyl)methoxy]phenyl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 67986890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).