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

C28H22N2O2 — CID 135839334

IUPAC4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol
SMILESOc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1OCc1ccccc1
InChIInChI=1S/C28H22N2O2/c31-27-16-13-23(18-28(27)32-19-21-9-5-2-6-10-21)22-12-14-24-25(29-30-26(24)17-22)15-11-20-7-3-1-4-8-20/h1-18,31H,19H2,(H,29,30)/b15-11+
InChIKeyXNXRPRVBGWBMQP-RVDMUPIBSA-N
MW418.50 g/mol
LogP6.68
Rot. Bonds6

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

4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol (PubChem CID 135839334) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol.

Molecular Properties

Compound Name4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol
PubChem CID135839334
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol
SMILESOc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1OCc1ccccc1
InChIInChI=1S/C28H22N2O2/c31-27-16-13-23(18-28(27)32-19-21-9-5-2-6-10-21)22-12-14-24-25(29-30-26(24)17-22)15-11-20-7-3-1-4-8-20/h1-18,31H,19H2,(H,29,30)/b15-11+
InChIKeyXNXRPRVBGWBMQP-RVDMUPIBSA-N
XLogP6.68
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
3-(Naphthalen-2-yl)-6-(3-methoxy4-hydroxy-phenyl)-1H-indazole
CID 135839319
4-[3-(1H-indol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol
CID 135839332
N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155559746
4-[3-(4-hydroxyphenyl)-1H-indazol-6-yl]phenol
CID 166632081
2-(methyloxy)-4-[(E)-2-(5-phenyl-1H-pyrazol-3-yl)ethenyl]phenol
CID 135424803
3-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 21877386
4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol
CID 135839297
4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839305
2-(2-hydroxyethoxy)-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839318
2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839325
2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
CID 135839326

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol?
The IUPAC name of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol (CID 135839334) is 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol.
What is the SMILES notation for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol?
The canonical SMILES for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol is Oc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1OCc1ccccc1.
What is the InChIKey of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol?
The InChIKey is XNXRPRVBGWBMQP-RVDMUPIBSA-N. The full InChI is InChI=1S/C28H22N2O2/c31-27-16-13-23(18-28(27)32-19-21-9-5-2-6-10-21)22-12-14-24-25(29-30-26(24)17-22)15-11-20-7-3-1-4-8-20/h1-18,31H,19H2,(H,29,30)/b15-11+.
What are the key properties of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol?
4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol has a molecular weight of 418.50 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol is sourced from PubChem (CID 135839334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).