3-phenyl-5-phenylmethoxy-1H-indazole

C20H16N2O — CID 22479925

IUPAC3-phenyl-5-phenylmethoxy-1H-indazole
SMILESc1ccc(COc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C20H16N2O/c1-3-7-15(8-4-1)14-23-17-11-12-19-18(13-17)20(22-21-19)16-9-5-2-6-10-16/h1-13H,14H2,(H,21,22)
InChIKeyPDNMCKCPAMGRPP-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.81
Rot. Bonds4

About 3-phenyl-5-phenylmethoxy-1H-indazole

3-phenyl-5-phenylmethoxy-1H-indazole (PubChem CID 22479925) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-phenyl-5-phenylmethoxy-1H-indazole.

Molecular Properties

Compound Name3-phenyl-5-phenylmethoxy-1H-indazole
PubChem CID22479925
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-phenyl-5-phenylmethoxy-1H-indazole
SMILESc1ccc(COc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C20H16N2O/c1-3-7-15(8-4-1)14-23-17-11-12-19-18(13-17)20(22-21-19)16-9-5-2-6-10-16/h1-13H,14H2,(H,21,22)
InChIKeyPDNMCKCPAMGRPP-UHFFFAOYSA-N
XLogP4.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-phenylmethoxy-1H-indazole?
The IUPAC name of 3-phenyl-5-phenylmethoxy-1H-indazole (CID 22479925) is 3-phenyl-5-phenylmethoxy-1H-indazole.
What is the SMILES notation for 3-phenyl-5-phenylmethoxy-1H-indazole?
The canonical SMILES for 3-phenyl-5-phenylmethoxy-1H-indazole is c1ccc(COc2ccc3[nH]nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 3-phenyl-5-phenylmethoxy-1H-indazole?
The InChIKey is PDNMCKCPAMGRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-3-7-15(8-4-1)14-23-17-11-12-19-18(13-17)20(22-21-19)16-9-5-2-6-10-16/h1-13H,14H2,(H,21,22).
What are the key properties of 3-phenyl-5-phenylmethoxy-1H-indazole?
3-phenyl-5-phenylmethoxy-1H-indazole has a molecular weight of 300.36 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-phenylmethoxy-1H-indazole is sourced from PubChem (CID 22479925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).