3-methoxy-1-[(4-methoxyphenyl)methyl]indazole

C16H16N2O2 — CID 174608051

IUPAC3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cn2nc(OC)c3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-19-13-9-7-12(8-10-13)11-18-15-6-4-3-5-14(15)16(17-18)20-2/h3-10H,11H2,1-2H3
InChIKeyYNFIHDYDTNUTBH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.10
Rot. Bonds4

About 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole

3-methoxy-1-[(4-methoxyphenyl)methyl]indazole (PubChem CID 174608051) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole.

Molecular Properties

Compound Name3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
PubChem CID174608051
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
SMILESCOc1ccc(Cn2nc(OC)c3ccccc32)cc1
InChIInChI=1S/C16H16N2O2/c1-19-13-9-7-12(8-10-13)11-18-15-6-4-3-5-14(15)16(17-18)20-2/h3-10H,11H2,1-2H3
InChIKeyYNFIHDYDTNUTBH-UHFFFAOYSA-N
XLogP3.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
The IUPAC name of 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole (CID 174608051) is 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole.
What is the SMILES notation for 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
The canonical SMILES for 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole is COc1ccc(Cn2nc(OC)c3ccccc32)cc1.
What is the InChIKey of 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
The InChIKey is YNFIHDYDTNUTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-13-9-7-12(8-10-13)11-18-15-6-4-3-5-14(15)16(17-18)20-2/h3-10H,11H2,1-2H3.
What are the key properties of 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole?
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole has a molecular weight of 268.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(4-methoxyphenyl)methyl]indazole is sourced from PubChem (CID 174608051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).