2-methyl-4-(pyridin-3-ylmethyl)phenol

C13H13NO — CID 13365794

IUPAC2-methyl-4-(pyridin-3-ylmethyl)phenol
SMILESCc1cc(Cc2cccnc2)ccc1O
InChIInChI=1S/C13H13NO/c1-10-7-11(4-5-13(10)15)8-12-3-2-6-14-9-12/h2-7,9,15H,8H2,1H3
InChIKeyNNYPZCQYAWLIJY-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.69
Rot. Bonds2

About 2-methyl-4-(pyridin-3-ylmethyl)phenol

2-methyl-4-(pyridin-3-ylmethyl)phenol (PubChem CID 13365794) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methyl-4-(pyridin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(pyridin-3-ylmethyl)phenol
PubChem CID13365794
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-methyl-4-(pyridin-3-ylmethyl)phenol
SMILESCc1cc(Cc2cccnc2)ccc1O
InChIInChI=1S/C13H13NO/c1-10-7-11(4-5-13(10)15)8-12-3-2-6-14-9-12/h2-7,9,15H,8H2,1H3
InChIKeyNNYPZCQYAWLIJY-UHFFFAOYSA-N
XLogP2.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluoro-3-methylphenyl)methyl]pyridine
CID 175091377
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
7-methyl-2-(pyridin-3-ylmethyl)-3H-benzimidazol-4-ol
CID 23052399
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 22925864
4-[[4-hydroxy-3-[(4-hydroxy-3-methylphenyl)methyl]-5-methylphenyl]methyl]-2-[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 15965769
3-methyl-5-(pyridin-3-ylmethyl)aniline
CID 107579669
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
CID 113447026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyridin-3-ylmethyl)phenol?
The IUPAC name of 2-methyl-4-(pyridin-3-ylmethyl)phenol (CID 13365794) is 2-methyl-4-(pyridin-3-ylmethyl)phenol.
What is the SMILES notation for 2-methyl-4-(pyridin-3-ylmethyl)phenol?
The canonical SMILES for 2-methyl-4-(pyridin-3-ylmethyl)phenol is Cc1cc(Cc2cccnc2)ccc1O.
What is the InChIKey of 2-methyl-4-(pyridin-3-ylmethyl)phenol?
The InChIKey is NNYPZCQYAWLIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-7-11(4-5-13(10)15)8-12-3-2-6-14-9-12/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-methyl-4-(pyridin-3-ylmethyl)phenol?
2-methyl-4-(pyridin-3-ylmethyl)phenol has a molecular weight of 199.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyridin-3-ylmethyl)phenol is sourced from PubChem (CID 13365794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).