2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol

C22H23NO2 — CID 23600058

IUPAC2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2ccccn2)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C22H23NO2/c1-13-9-15(3)21(24)17(11-13)20(19-7-5-6-8-23-19)18-12-14(2)10-16(4)22(18)25/h5-12,20,24-25H,1-4H3
InChIKeyILTILAAQWMHJPU-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.91
Rot. Bonds3

About 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol

2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol (PubChem CID 23600058) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
PubChem CID23600058
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(c2ccccn2)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C22H23NO2/c1-13-9-15(3)21(24)17(11-13)20(19-7-5-6-8-23-19)18-12-14(2)10-16(4)22(18)25/h5-12,20,24-25H,1-4H3
InChIKeyILTILAAQWMHJPU-UHFFFAOYSA-N
XLogP4.91
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol
CID 23520906
pyridin-2-yl-(2,4,6-trimethylphenyl)methanol
CID 154106044
(S)-(3,5-dimethylphenyl)-pyridin-2-ylmethanol
CID 1203668
2-[1-benzothiophen-2-yl-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 23600091
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[(2-methylphenyl)-phenylmethyl]pyridine
CID 170986908
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
2,4-dimethyl-6-(6-pyridin-2-yl-2-pyridinyl)phenol
CID 137254307
4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol
CID 155121466
1-(2-methoxy-5-methylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459919
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol (CID 23600058) is 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(c2ccccn2)c2cc(C)cc(C)c2O)c1.
What is the InChIKey of 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol?
The InChIKey is ILTILAAQWMHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-13-9-15(3)21(24)17(11-13)20(19-7-5-6-8-23-19)18-12-14(2)10-16(4)22(18)25/h5-12,20,24-25H,1-4H3.
What are the key properties of 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol?
2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol has a molecular weight of 333.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol is sourced from PubChem (CID 23600058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).