3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole

C15H12F2N2O2 — CID 158287179

IUPAC3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole
SMILESFC(F)Oc1n[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C15H12F2N2O2/c16-15(17)21-14-12-7-6-11(8-13(12)18-19-14)20-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,18,19)
InChIKeyUMJZEPQWMLXJSB-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.74
Rot. Bonds5

About 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole

3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole (PubChem CID 158287179) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole
PubChem CID158287179
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole
SMILESFC(F)Oc1n[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C15H12F2N2O2/c16-15(17)21-14-12-7-6-11(8-13(12)18-19-14)20-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,18,19)
InChIKeyUMJZEPQWMLXJSB-UHFFFAOYSA-N
XLogP3.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate
CID 154080283
2-(difluoromethoxy)-4-phenylmethoxypyridine
CID 18994132
6-[(4-ethylphenyl)methoxy]-1H-indazol-3-amine
CID 126696095
6-[(3-chlorophenyl)methoxy]-1H-indazol-3-amine
CID 126696122
6-[[4-(1,1-difluoroethyl)phenyl]methoxy]-1H-indazol-3-amine
CID 126716670
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
N-[3-[(1R)-2-[2-[[3-(difluoromethoxy)-1H-indazol-6-yl]oxy]ethylamino]-1-hydroxyethyl]phenyl]propane-2-sulfonamide
CID 59370779
2-phenyl-6-phenylmethoxyquinolin-4-amine
CID 113232549
[3-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]methanol
CID 111770249
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
2-(4-fluorophenyl)-6-phenylmethoxy-1H-indole
CID 44553261
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole?
The IUPAC name of 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole (CID 158287179) is 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole.
What is the SMILES notation for 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole?
The canonical SMILES for 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole is FC(F)Oc1n[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole?
The InChIKey is UMJZEPQWMLXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c16-15(17)21-14-12-7-6-11(8-13(12)18-19-14)20-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,18,19).
What are the key properties of 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole?
3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole has a molecular weight of 290.27 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole is sourced from PubChem (CID 158287179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).