2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol

C20H16N2O2 — CID 135839326

IUPAC2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
SMILESCOc1cc(-c2ccc3c(-c4ccccc4)n[nH]c3c2)ccc1O
InChIInChI=1S/C20H16N2O2/c1-24-19-12-15(8-10-18(19)23)14-7-9-16-17(11-14)21-22-20(16)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,22)
InChIKeyWHQIZPQKHIIGAE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.61
Rot. Bonds3

About 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol

2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol (PubChem CID 135839326) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
PubChem CID135839326
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
SMILESCOc1cc(-c2ccc3c(-c4ccccc4)n[nH]c3c2)ccc1O
InChIInChI=1S/C20H16N2O2/c1-24-19-12-15(8-10-18(19)23)14-7-9-16-17(11-14)21-22-20(16)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,22)
InChIKeyWHQIZPQKHIIGAE-UHFFFAOYSA-N
XLogP4.61
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol?
The IUPAC name of 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol (CID 135839326) is 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol?
The canonical SMILES for 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol is COc1cc(-c2ccc3c(-c4ccccc4)n[nH]c3c2)ccc1O.
What is the InChIKey of 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol?
The InChIKey is WHQIZPQKHIIGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-19-12-15(8-10-18(19)23)14-7-9-16-17(11-14)21-22-20(16)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,22).
What are the key properties of 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol?
2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol has a molecular weight of 316.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol is sourced from PubChem (CID 135839326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).