5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol

C14H15NO — CID 169206900

IUPAC5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol
SMILESCc1ccc(/C=C2\C=CN=CC2C)c(O)c1
InChIInChI=1S/C14H15NO/c1-10-3-4-13(14(16)7-10)8-12-5-6-15-9-11(12)2/h3-9,11,16H,1-2H3/b12-8+
InChIKeyJPUKTKQPEZAUAT-XYOKQWHBSA-N
MW213.28 g/mol
LogP3.32
Rot. Bonds1

About 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol

5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol (PubChem CID 169206900) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol
PubChem CID169206900
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol
SMILESCc1ccc(/C=C2\C=CN=CC2C)c(O)c1
InChIInChI=1S/C14H15NO/c1-10-3-4-13(14(16)7-10)8-12-5-6-15-9-11(12)2/h3-9,11,16H,1-2H3/b12-8+
InChIKeyJPUKTKQPEZAUAT-XYOKQWHBSA-N
XLogP3.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-methylthiobenzaldehyde
CID 135703249
2-(hydroxyiminomethyl)-5-methylphenol;iron
CID 175124373
2,5-dimethylphenol;ethane
CID 143419778
bis(2,5-dimethylphenol);dihydrochloride
CID 70596946
2,5-dimethylphenol;samarium
CID 87732062
2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
CID 161019797
2-[[2-[(2-hydroxy-4-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-5-methylphenol
CID 159587394
(2-hydroxy-4-methylphenyl)-oxoazanium
CID 58436141
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
7-methylphenazin-2-ol
CID 135430298
5-methyl-2-(triazin-4-yl)phenol
CID 174861376
2,5-dimethylphenol;4-methylphenol
CID 67649093

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol?
The IUPAC name of 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol (CID 169206900) is 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol.
What is the SMILES notation for 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol?
The canonical SMILES for 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol is Cc1ccc(/C=C2\C=CN=CC2C)c(O)c1.
What is the InChIKey of 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol?
The InChIKey is JPUKTKQPEZAUAT-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-3-4-13(14(16)7-10)8-12-5-6-15-9-11(12)2/h3-9,11,16H,1-2H3/b12-8+.
What are the key properties of 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol?
5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol has a molecular weight of 213.28 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol is sourced from PubChem (CID 169206900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).