3-phenylmethoxy-1H-indazole

C14H12N2O — CID 42603593

IUPAC3-phenylmethoxy-1H-indazole
SMILESc1ccc(COc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C14H12N2O/c1-2-6-11(7-3-1)10-17-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
InChIKeyKXIMCEQJXLUWHI-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.14
Rot. Bonds3

About 3-phenylmethoxy-1H-indazole

3-phenylmethoxy-1H-indazole (PubChem CID 42603593) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-phenylmethoxy-1H-indazole.

Molecular Properties

Compound Name3-phenylmethoxy-1H-indazole
PubChem CID42603593
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-phenylmethoxy-1H-indazole
SMILESc1ccc(COc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C14H12N2O/c1-2-6-11(7-3-1)10-17-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16)
InChIKeyKXIMCEQJXLUWHI-UHFFFAOYSA-N
XLogP3.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1H-indazole?
The IUPAC name of 3-phenylmethoxy-1H-indazole (CID 42603593) is 3-phenylmethoxy-1H-indazole.
What is the SMILES notation for 3-phenylmethoxy-1H-indazole?
The canonical SMILES for 3-phenylmethoxy-1H-indazole is c1ccc(COc2n[nH]c3ccccc23)cc1.
What is the InChIKey of 3-phenylmethoxy-1H-indazole?
The InChIKey is KXIMCEQJXLUWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-6-11(7-3-1)10-17-14-12-8-4-5-9-13(12)15-16-14/h1-9H,10H2,(H,15,16).
What are the key properties of 3-phenylmethoxy-1H-indazole?
3-phenylmethoxy-1H-indazole has a molecular weight of 224.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1H-indazole is sourced from PubChem (CID 42603593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).