3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol

C15H11NO2S — CID 115466752

IUPAC3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c(s2)CCc2occc2-3)c1
InChIInChI=1S/C15H11NO2S/c17-10-3-1-2-9(8-10)15-16-14-11-6-7-18-12(11)4-5-13(14)19-15/h1-3,6-8,17H,4-5H2
InChIKeyVRRRORCGZWQGKP-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.87
Rot. Bonds1

About 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol

3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol (PubChem CID 115466752) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol
PubChem CID115466752
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c(s2)CCc2occc2-3)c1
InChIInChI=1S/C15H11NO2S/c17-10-3-1-2-9(8-10)15-16-14-11-6-7-18-12(11)4-5-13(14)19-15/h1-3,6-8,17H,4-5H2
InChIKeyVRRRORCGZWQGKP-UHFFFAOYSA-N
XLogP3.87
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol?
The IUPAC name of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol (CID 115466752) is 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol.
What is the SMILES notation for 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol?
The canonical SMILES for 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol is Oc1cccc(-c2nc3c(s2)CCc2occc2-3)c1.
What is the InChIKey of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol?
The InChIKey is VRRRORCGZWQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-10-3-1-2-9(8-10)15-16-14-11-6-7-18-12(11)4-5-13(14)19-15/h1-3,6-8,17H,4-5H2.
What are the key properties of 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol?
3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol has a molecular weight of 269.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)phenol is sourced from PubChem (CID 115466752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).