2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol

C14H15NO3S — CID 67277031

IUPAC2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol
SMILESCC(Sc1ncccc1O)C(O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO3S/c1-9(19-14-12(17)3-2-8-15-14)13(18)10-4-6-11(16)7-5-10/h2-9,13,16-18H,1H3
InChIKeyQXLTZGYIRWXORV-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol

2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol (PubChem CID 67277031) has the molecular formula C14H15NO3S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol.

Molecular Properties

Compound Name2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol
PubChem CID67277031
Molecular FormulaC14H15NO3S
Molecular Weight277.34 g/mol
Exact Mass277.08
IUPAC Name2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol
SMILESCC(Sc1ncccc1O)C(O)c1ccc(O)cc1
InChIInChI=1S/C14H15NO3S/c1-9(19-14-12(17)3-2-8-15-14)13(18)10-4-6-11(16)7-5-10/h2-9,13,16-18H,1H3
InChIKeyQXLTZGYIRWXORV-UHFFFAOYSA-N
XLogP2.71
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol?
The IUPAC name of 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol (CID 67277031) is 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol.
What is the SMILES notation for 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol?
The canonical SMILES for 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol is CC(Sc1ncccc1O)C(O)c1ccc(O)cc1.
What is the InChIKey of 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol?
The InChIKey is QXLTZGYIRWXORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9(19-14-12(17)3-2-8-15-14)13(18)10-4-6-11(16)7-5-10/h2-9,13,16-18H,1H3.
What are the key properties of 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol?
2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol has a molecular weight of 277.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]sulfanylpyridin-3-ol is sourced from PubChem (CID 67277031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).