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

C21H16N2O — CID 135839305

IUPAC4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1
InChIInChI=1S/C21H16N2O/c24-18-10-7-16(8-11-18)17-9-12-19-20(22-23-21(19)14-17)13-6-15-4-2-1-3-5-15/h1-14,24H,(H,22,23)/b13-6+
InChIKeyJPNSNCCKZFWRTF-AWNIVKPZSA-N
MW312.37 g/mol
LogP5.11
Rot. Bonds3

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

4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol (PubChem CID 135839305) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
PubChem CID135839305
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1
InChIInChI=1S/C21H16N2O/c24-18-10-7-16(8-11-18)17-9-12-19-20(22-23-21(19)14-17)13-6-15-4-2-1-3-5-15/h1-14,24H,(H,22,23)/b13-6+
InChIKeyJPNSNCCKZFWRTF-AWNIVKPZSA-N
XLogP5.11
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol (CID 135839305) is 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol is Oc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1.
What is the InChIKey of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
The InChIKey is JPNSNCCKZFWRTF-AWNIVKPZSA-N. The full InChI is InChI=1S/C21H16N2O/c24-18-10-7-16(8-11-18)17-9-12-19-20(22-23-21(19)14-17)13-6-15-4-2-1-3-5-15/h1-14,24H,(H,22,23)/b13-6+.
What are the key properties of 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol?
4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol has a molecular weight of 312.37 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 135839305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).