4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol

C28H26N2O4 — CID 136505182

IUPAC4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C28H26N2O4/c1-33-27-16-20(10-14-25(27)31)8-12-23-18-24(30(29-23)19-22-6-4-3-5-7-22)13-9-21-11-15-26(32)28(17-21)34-2/h3-18,31-32H,19H2,1-2H3/b12-8+,13-9+
InChIKeyUUWBDTJMCLMQEW-QHKWOANTSA-N
MW454.53 g/mol
LogP5.70
Rot. Bonds8

About 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol

4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol (PubChem CID 136505182) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
PubChem CID136505182
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(Cc3ccccc3)n2)ccc1O
InChIInChI=1S/C28H26N2O4/c1-33-27-16-20(10-14-25(27)31)8-12-23-18-24(30(29-23)19-22-6-4-3-5-7-22)13-9-21-11-15-26(32)28(17-21)34-2/h3-18,31-32H,19H2,1-2H3/b12-8+,13-9+
InChIKeyUUWBDTJMCLMQEW-QHKWOANTSA-N
XLogP5.70
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol (CID 136505182) is 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol is COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(Cc3ccccc3)n2)ccc1O.
What is the InChIKey of 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
The InChIKey is UUWBDTJMCLMQEW-QHKWOANTSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-33-27-16-20(10-14-25(27)31)8-12-23-18-24(30(29-23)19-22-6-4-3-5-7-22)13-9-21-11-15-26(32)28(17-21)34-2/h3-18,31-32H,19H2,1-2H3/b12-8+,13-9+.
What are the key properties of 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol?
4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol has a molecular weight of 454.53 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 136505182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).