3-(2,3-dimethyl-4-pyridinyl)phenol

C13H13NO — CID 20564329

IUPAC3-(2,3-dimethyl-4-pyridinyl)phenol
SMILESCc1nccc(-c2cccc(O)c2)c1C
InChIInChI=1S/C13H13NO/c1-9-10(2)14-7-6-13(9)11-4-3-5-12(15)8-11/h3-8,15H,1-2H3
InChIKeyZMNBVUXWIJLZFP-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.07
Rot. Bonds1

About 3-(2,3-dimethyl-4-pyridinyl)phenol

3-(2,3-dimethyl-4-pyridinyl)phenol (PubChem CID 20564329) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2,3-dimethyl-4-pyridinyl)phenol.

Molecular Properties

Compound Name3-(2,3-dimethyl-4-pyridinyl)phenol
PubChem CID20564329
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-(2,3-dimethyl-4-pyridinyl)phenol
SMILESCc1nccc(-c2cccc(O)c2)c1C
InChIInChI=1S/C13H13NO/c1-9-10(2)14-7-6-13(9)11-4-3-5-12(15)8-11/h3-8,15H,1-2H3
InChIKeyZMNBVUXWIJLZFP-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-4-pyridinyl)phenol?
The IUPAC name of 3-(2,3-dimethyl-4-pyridinyl)phenol (CID 20564329) is 3-(2,3-dimethyl-4-pyridinyl)phenol.
What is the SMILES notation for 3-(2,3-dimethyl-4-pyridinyl)phenol?
The canonical SMILES for 3-(2,3-dimethyl-4-pyridinyl)phenol is Cc1nccc(-c2cccc(O)c2)c1C.
What is the InChIKey of 3-(2,3-dimethyl-4-pyridinyl)phenol?
The InChIKey is ZMNBVUXWIJLZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-10(2)14-7-6-13(9)11-4-3-5-12(15)8-11/h3-8,15H,1-2H3.
What are the key properties of 3-(2,3-dimethyl-4-pyridinyl)phenol?
3-(2,3-dimethyl-4-pyridinyl)phenol has a molecular weight of 199.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-4-pyridinyl)phenol is sourced from PubChem (CID 20564329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).