1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole

C27H20F2N2O2 — CID 59272955

IUPAC1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole
SMILESFc1cc(-n2ncc3c(OCc4ccccc4)cccc32)cc(F)c1OCc1ccccc1
InChIInChI=1S/C27H20F2N2O2/c28-23-14-21(15-24(29)27(23)33-18-20-10-5-2-6-11-20)31-25-12-7-13-26(22(25)16-30-31)32-17-19-8-3-1-4-9-19/h1-16H,17-18H2
InChIKeyVKCGXELZLIVTPL-UHFFFAOYSA-N
MW442.47 g/mol
LogP6.46
Rot. Bonds7

About 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole

1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole (PubChem CID 59272955) has the molecular formula C27H20F2N2O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole.

Molecular Properties

Compound Name1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole
PubChem CID59272955
Molecular FormulaC27H20F2N2O2
Molecular Weight442.47 g/mol
Exact Mass442.15
IUPAC Name1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole
SMILESFc1cc(-n2ncc3c(OCc4ccccc4)cccc32)cc(F)c1OCc1ccccc1
InChIInChI=1S/C27H20F2N2O2/c28-23-14-21(15-24(29)27(23)33-18-20-10-5-2-6-11-20)31-25-12-7-13-26(22(25)16-30-31)32-17-19-8-3-1-4-9-19/h1-16H,17-18H2
InChIKeyVKCGXELZLIVTPL-UHFFFAOYSA-N
XLogP6.46
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole?
The IUPAC name of 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole (CID 59272955) is 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole.
What is the SMILES notation for 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole?
The canonical SMILES for 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole is Fc1cc(-n2ncc3c(OCc4ccccc4)cccc32)cc(F)c1OCc1ccccc1.
What is the InChIKey of 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole?
The InChIKey is VKCGXELZLIVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N2O2/c28-23-14-21(15-24(29)27(23)33-18-20-10-5-2-6-11-20)31-25-12-7-13-26(22(25)16-30-31)32-17-19-8-3-1-4-9-19/h1-16H,17-18H2.
What are the key properties of 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole?
1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole has a molecular weight of 442.47 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-phenylmethoxyphenyl)-4-phenylmethoxyindazole is sourced from PubChem (CID 59272955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).