4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol

C12H15NO3S — CID 123893693

IUPAC4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol
SMILESCS(=O)(=O)C1CC(c2ccc(O)cc2)=CCN1
InChIInChI=1S/C12H15NO3S/c1-17(15,16)12-8-10(6-7-13-12)9-2-4-11(14)5-3-9/h2-6,12-14H,7-8H2,1H3
InChIKeyZKLLYWMWLNUJJP-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.14
Rot. Bonds2

About 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol

4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol (PubChem CID 123893693) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol.

Molecular Properties

Compound Name4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol
PubChem CID123893693
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol
SMILESCS(=O)(=O)C1CC(c2ccc(O)cc2)=CCN1
InChIInChI=1S/C12H15NO3S/c1-17(15,16)12-8-10(6-7-13-12)9-2-4-11(14)5-3-9/h2-6,12-14H,7-8H2,1H3
InChIKeyZKLLYWMWLNUJJP-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
The IUPAC name of 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol (CID 123893693) is 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol.
What is the SMILES notation for 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
The canonical SMILES for 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol is CS(=O)(=O)C1CC(c2ccc(O)cc2)=CCN1.
What is the InChIKey of 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
The InChIKey is ZKLLYWMWLNUJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-17(15,16)12-8-10(6-7-13-12)9-2-4-11(14)5-3-9/h2-6,12-14H,7-8H2,1H3.
What are the key properties of 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol?
4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol has a molecular weight of 253.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenol is sourced from PubChem (CID 123893693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).