5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol

C26H22N2O3 — CID 135575615

IUPAC5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
SMILESC=Cc1ccc(COc2ccc(-c3ncncc3-c3ccccc3OC)c(O)c2)cc1
InChIInChI=1S/C26H22N2O3/c1-3-18-8-10-19(11-9-18)16-31-20-12-13-22(24(29)14-20)26-23(15-27-17-28-26)21-6-4-5-7-25(21)30-2/h3-15,17,29H,1,16H2,2H3
InChIKeyOXNSFYKBZHQCAX-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.75
Rot. Bonds7

About 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol

5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 135575615) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID135575615
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
SMILESC=Cc1ccc(COc2ccc(-c3ncncc3-c3ccccc3OC)c(O)c2)cc1
InChIInChI=1S/C26H22N2O3/c1-3-18-8-10-19(11-9-18)16-31-20-12-13-22(24(29)14-20)26-23(15-27-17-28-26)21-6-4-5-7-25(21)30-2/h3-15,17,29H,1,16H2,2H3
InChIKeyOXNSFYKBZHQCAX-UHFFFAOYSA-N
XLogP5.75
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135651854
5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol
CID 135651504
5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
CID 135651610
[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol
CID 123395006
5-[(4-fluorophenyl)methoxy]-2-[4-(2-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 135652684
2-[5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652089
5-[(4-fluorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651708
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
N-hydroxy-4-[[3-hydroxy-4-[4-(2-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]benzeneamine oxide
CID 163119174

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol (CID 135575615) is 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol is C=Cc1ccc(COc2ccc(-c3ncncc3-c3ccccc3OC)c(O)c2)cc1.
What is the InChIKey of 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is OXNSFYKBZHQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-3-18-8-10-19(11-9-18)16-31-20-12-13-22(24(29)14-20)26-23(15-27-17-28-26)21-6-4-5-7-25(21)30-2/h3-15,17,29H,1,16H2,2H3.
What are the key properties of 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol?
5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 410.47 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135575615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).