3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol

C18H15NO3S — CID 71293716

IUPAC3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESOc1cccc(C2CCc3cc(Oc4nccs4)ccc3O2)c1
InChIInChI=1S/C18H15NO3S/c20-14-3-1-2-12(10-14)16-6-4-13-11-15(5-7-17(13)22-16)21-18-19-8-9-23-18/h1-3,5,7-11,16,20H,4,6H2
InChIKeyCGEYLICJYYWELC-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.71
Rot. Bonds3

About 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol

3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol (PubChem CID 71293716) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol.

Molecular Properties

Compound Name3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol
PubChem CID71293716
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESOc1cccc(C2CCc3cc(Oc4nccs4)ccc3O2)c1
InChIInChI=1S/C18H15NO3S/c20-14-3-1-2-12(10-14)16-6-4-13-11-15(5-7-17(13)22-16)21-18-19-8-9-23-18/h1-3,5,7-11,16,20H,4,6H2
InChIKeyCGEYLICJYYWELC-UHFFFAOYSA-N
XLogP4.71
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol?
The IUPAC name of 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol (CID 71293716) is 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol.
What is the SMILES notation for 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol?
The canonical SMILES for 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol is Oc1cccc(C2CCc3cc(Oc4nccs4)ccc3O2)c1.
What is the InChIKey of 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol?
The InChIKey is CGEYLICJYYWELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-14-3-1-2-12(10-14)16-6-4-13-11-15(5-7-17(13)22-16)21-18-19-8-9-23-18/h1-3,5,7-11,16,20H,4,6H2.
What are the key properties of 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol?
3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol has a molecular weight of 325.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-chromen-2-yl]phenol is sourced from PubChem (CID 71293716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).