3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol

C15H11NO2S — CID 25093377

IUPAC3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol
SMILESOc1cccc(-c2csc(-c3cccc(O)c3)n2)c1
InChIInChI=1S/C15H11NO2S/c17-12-5-1-3-10(7-12)14-9-19-15(16-14)11-4-2-6-13(18)8-11/h1-9,17-18H
InChIKeyWSUUHCNQLBCNOV-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.89
Rot. Bonds2

About 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol

3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol (PubChem CID 25093377) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol
PubChem CID25093377
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol
SMILESOc1cccc(-c2csc(-c3cccc(O)c3)n2)c1
InChIInChI=1S/C15H11NO2S/c17-12-5-1-3-10(7-12)14-9-19-15(16-14)11-4-2-6-13(18)8-11/h1-9,17-18H
InChIKeyWSUUHCNQLBCNOV-UHFFFAOYSA-N
XLogP3.89
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol (CID 25093377) is 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol is Oc1cccc(-c2csc(-c3cccc(O)c3)n2)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol?
The InChIKey is WSUUHCNQLBCNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-12-5-1-3-10(7-12)14-9-19-15(16-14)11-4-2-6-13(18)8-11/h1-9,17-18H.
What are the key properties of 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol?
3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol has a molecular weight of 269.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 25093377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).