2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol

C23H20N2O2 — CID 135839325

IUPAC2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
SMILESCCOc1cc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)ccc1O
InChIInChI=1S/C23H20N2O2/c1-2-27-23-15-18(10-13-22(23)26)17-9-11-19-20(24-25-21(19)14-17)12-8-16-6-4-3-5-7-16/h3-15,26H,2H2,1H3,(H,24,25)/b12-8+
InChIKeyPXASEQPWIWEMGM-XYOKQWHBSA-N
MW356.43 g/mol
LogP5.50
Rot. Bonds5

About 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol

2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol (PubChem CID 135839325) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
PubChem CID135839325
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
SMILESCCOc1cc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)ccc1O
InChIInChI=1S/C23H20N2O2/c1-2-27-23-15-18(10-13-22(23)26)17-9-11-19-20(24-25-21(19)14-17)12-8-16-6-4-3-5-7-16/h3-15,26H,2H2,1H3,(H,24,25)/b12-8+
InChIKeyPXASEQPWIWEMGM-XYOKQWHBSA-N
XLogP5.50
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
The IUPAC name of 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol (CID 135839325) is 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol is CCOc1cc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
The InChIKey is PXASEQPWIWEMGM-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-27-23-15-18(10-13-22(23)26)17-9-11-19-20(24-25-21(19)14-17)12-8-16-6-4-3-5-7-16/h3-15,26H,2H2,1H3,(H,24,25)/b12-8+.
What are the key properties of 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 135839325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).