4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol

C20H16N2O2 — CID 673275

IUPAC4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2nc(-c3ccc(O)cc3)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O2/c23-16-9-5-14(6-10-16)13-22-19-4-2-1-3-18(19)20(21-22)15-7-11-17(24)12-8-15/h1-12,23-24H,13H2
InChIKeyAEYROEZDFXCIQE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.16
Rot. Bonds3

About 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol

4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol (PubChem CID 673275) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol
PubChem CID673275
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2nc(-c3ccc(O)cc3)c3ccccc32)cc1
InChIInChI=1S/C20H16N2O2/c23-16-9-5-14(6-10-16)13-22-19-4-2-1-3-18(19)20(21-22)15-7-11-17(24)12-8-15/h1-12,23-24H,13H2
InChIKeyAEYROEZDFXCIQE-UHFFFAOYSA-N
XLogP4.16
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol (CID 673275) is 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol is Oc1ccc(Cn2nc(-c3ccc(O)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol?
The InChIKey is AEYROEZDFXCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-16-9-5-14(6-10-16)13-22-19-4-2-1-3-18(19)20(21-22)15-7-11-17(24)12-8-15/h1-12,23-24H,13H2.
What are the key properties of 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol?
4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol has a molecular weight of 316.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxyphenyl)indazol-1-yl]methyl]phenol is sourced from PubChem (CID 673275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).