2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol

C14H15NO3S — CID 160647577

IUPAC2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol
SMILESCc1ccncc1-c1ccc(CS(C)(=O)=O)cc1O
InChIInChI=1S/C14H15NO3S/c1-10-5-6-15-8-13(10)12-4-3-11(7-14(12)16)9-19(2,17)18/h3-8,16H,9H2,1-2H3
InChIKeyRJZJEBWVMQNHJL-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol

2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol (PubChem CID 160647577) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol
PubChem CID160647577
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol
SMILESCc1ccncc1-c1ccc(CS(C)(=O)=O)cc1O
InChIInChI=1S/C14H15NO3S/c1-10-5-6-15-8-13(10)12-4-3-11(7-14(12)16)9-19(2,17)18/h3-8,16H,9H2,1-2H3
InChIKeyRJZJEBWVMQNHJL-UHFFFAOYSA-N
XLogP2.31
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol?
The IUPAC name of 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol (CID 160647577) is 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol is Cc1ccncc1-c1ccc(CS(C)(=O)=O)cc1O.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol?
The InChIKey is RJZJEBWVMQNHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-5-6-15-8-13(10)12-4-3-11(7-14(12)16)9-19(2,17)18/h3-8,16H,9H2,1-2H3.
What are the key properties of 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol?
2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol has a molecular weight of 277.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)-5-(methylsulfonylmethyl)phenol is sourced from PubChem (CID 160647577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).