5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol

C26H24N2O4 — CID 135651504

IUPAC5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol
SMILESC=Cc1ccc(COc2ccc(-c3[nH]ncc3Oc3ccccc3OCC)c(O)c2)cc1
InChIInChI=1S/C26H24N2O4/c1-3-18-9-11-19(12-10-18)17-31-20-13-14-21(22(29)15-20)26-25(16-27-28-26)32-24-8-6-5-7-23(24)30-4-2/h3,5-16,29H,1,4,17H2,2H3,(H,27,28)
InChIKeyJUKFQVQTAYAXKB-UHFFFAOYSA-N
MW428.49 g/mol
LogP6.20
Rot. Bonds9

About 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol

5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol (PubChem CID 135651504) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol
PubChem CID135651504
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol
SMILESC=Cc1ccc(COc2ccc(-c3[nH]ncc3Oc3ccccc3OCC)c(O)c2)cc1
InChIInChI=1S/C26H24N2O4/c1-3-18-9-11-19(12-10-18)17-31-20-13-14-21(22(29)15-20)26-25(16-27-28-26)32-24-8-6-5-7-23(24)30-4-2/h3,5-16,29H,1,4,17H2,2H3,(H,27,28)
InChIKeyJUKFQVQTAYAXKB-UHFFFAOYSA-N
XLogP6.20
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
2-[4-(3,5-dimethylphenoxy)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135610298
5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135575615
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-ethylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719474
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 135796160
2-[4-(2-chlorophenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 135713335
2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
CID 2002675
5-[(2-chlorophenyl)methoxy]-2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]phenol
CID 135719415
2-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]-5-propoxyphenol
CID 135832308
2-[4-(3-methylphenoxy)-1H-pyrazol-5-yl]-5-(2-methylpropoxy)phenol
CID 135709545

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol (CID 135651504) is 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol is C=Cc1ccc(COc2ccc(-c3[nH]ncc3Oc3ccccc3OCC)c(O)c2)cc1.
What is the InChIKey of 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol?
The InChIKey is JUKFQVQTAYAXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-18-9-11-19(12-10-18)17-31-20-13-14-21(22(29)15-20)26-25(16-27-28-26)32-24-8-6-5-7-23(24)30-4-2/h3,5-16,29H,1,4,17H2,2H3,(H,27,28).
What are the key properties of 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol?
5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol has a molecular weight of 428.49 g/mol, XLogP of 6.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenylphenyl)methoxy]-2-[4-(2-ethoxyphenoxy)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135651504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).