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

C12H13NO2S — CID 83075531

IUPAC4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol
SMILESCC(O)(Cc1nccs1)c1ccc(O)cc1
InChIInChI=1S/C12H13NO2S/c1-12(15,8-11-13-6-7-16-11)9-2-4-10(14)5-3-9/h2-7,14-15H,8H2,1H3
InChIKeyWKXVDCBQPOWBAL-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.30
Rot. Bonds3

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

4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol (PubChem CID 83075531) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol
PubChem CID83075531
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol
SMILESCC(O)(Cc1nccs1)c1ccc(O)cc1
InChIInChI=1S/C12H13NO2S/c1-12(15,8-11-13-6-7-16-11)9-2-4-10(14)5-3-9/h2-7,14-15H,8H2,1H3
InChIKeyWKXVDCBQPOWBAL-UHFFFAOYSA-N
XLogP2.30
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol?
The IUPAC name of 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol (CID 83075531) is 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol is CC(O)(Cc1nccs1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol?
The InChIKey is WKXVDCBQPOWBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-12(15,8-11-13-6-7-16-11)9-2-4-10(14)5-3-9/h2-7,14-15H,8H2,1H3.
What are the key properties of 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol?
4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol has a molecular weight of 235.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol is sourced from PubChem (CID 83075531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).