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

C22H23NO2 — CID 86073238

IUPAC4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2ccncc2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C22H23NO2/c1-13-9-18(10-14(2)21(13)24)20(17-5-7-23-8-6-17)19-11-15(3)22(25)16(4)12-19/h5-12,20,24-25H,1-4H3
InChIKeyLNFOKMYYZYGMFP-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.91
Rot. Bonds3

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

4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol (PubChem CID 86073238) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol
PubChem CID86073238
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2ccncc2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C22H23NO2/c1-13-9-18(10-14(2)21(13)24)20(17-5-7-23-8-6-17)19-11-15(3)22(25)16(4)12-19/h5-12,20,24-25H,1-4H3
InChIKeyLNFOKMYYZYGMFP-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol (CID 86073238) is 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol is Cc1cc(C(c2ccncc2)c2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol?
The InChIKey is LNFOKMYYZYGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-13-9-18(10-14(2)21(13)24)20(17-5-7-23-8-6-17)19-11-15(3)22(25)16(4)12-19/h5-12,20,24-25H,1-4H3.
What are the key properties of 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol?
4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-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 4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol is sourced from PubChem (CID 86073238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).