2-methyl-5-pyridin-4-ylphenol

C12H11NO — CID 46316792

IUPAC2-methyl-5-pyridin-4-ylphenol
SMILESCc1ccc(-c2ccncc2)cc1O
InChIInChI=1S/C12H11NO/c1-9-2-3-11(8-12(9)14)10-4-6-13-7-5-10/h2-8,14H,1H3
InChIKeyDQZIWAYZSOHRAH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.76
Rot. Bonds1

About 2-methyl-5-pyridin-4-ylphenol

2-methyl-5-pyridin-4-ylphenol (PubChem CID 46316792) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-methyl-5-pyridin-4-ylphenol.

Molecular Properties

Compound Name2-methyl-5-pyridin-4-ylphenol
PubChem CID46316792
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-methyl-5-pyridin-4-ylphenol
SMILESCc1ccc(-c2ccncc2)cc1O
InChIInChI=1S/C12H11NO/c1-9-2-3-11(8-12(9)14)10-4-6-13-7-5-10/h2-8,14H,1H3
InChIKeyDQZIWAYZSOHRAH-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-4-ylphenol?
The IUPAC name of 2-methyl-5-pyridin-4-ylphenol (CID 46316792) is 2-methyl-5-pyridin-4-ylphenol.
What is the SMILES notation for 2-methyl-5-pyridin-4-ylphenol?
The canonical SMILES for 2-methyl-5-pyridin-4-ylphenol is Cc1ccc(-c2ccncc2)cc1O.
What is the InChIKey of 2-methyl-5-pyridin-4-ylphenol?
The InChIKey is DQZIWAYZSOHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9-2-3-11(8-12(9)14)10-4-6-13-7-5-10/h2-8,14H,1H3.
What are the key properties of 2-methyl-5-pyridin-4-ylphenol?
2-methyl-5-pyridin-4-ylphenol has a molecular weight of 185.23 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-4-ylphenol is sourced from PubChem (CID 46316792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).