4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol

C20H16N2O2 — CID 166631118

IUPAC4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol
SMILESOCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1
InChIInChI=1S/C20H16N2O2/c23-12-13-2-1-3-16(10-13)20-18-9-6-15(11-19(18)21-22-20)14-4-7-17(24)8-5-14/h1-11,23-24H,12H2,(H,21,22)
InChIKeyIEKDPCUVAJLSDV-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.09
Rot. Bonds3

About 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol

4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol (PubChem CID 166631118) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol
PubChem CID166631118
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol
SMILESOCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1
InChIInChI=1S/C20H16N2O2/c23-12-13-2-1-3-16(10-13)20-18-9-6-15(11-19(18)21-22-20)14-4-7-17(24)8-5-14/h1-11,23-24H,12H2,(H,21,22)
InChIKeyIEKDPCUVAJLSDV-UHFFFAOYSA-N
XLogP4.09
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol (CID 166631118) is 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol is OCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1.
What is the InChIKey of 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol?
The InChIKey is IEKDPCUVAJLSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-12-13-2-1-3-16(10-13)20-18-9-6-15(11-19(18)21-22-20)14-4-7-17(24)8-5-14/h1-11,23-24H,12H2,(H,21,22).
What are the key properties of 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol?
4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol has a molecular weight of 316.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(hydroxymethyl)phenyl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 166631118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).