3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate

C16H11F2N2O4- — CID 154080283

IUPAC3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate
SMILESO=C([O-])n1nc(OC(F)F)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C16H12F2N2O4/c17-15(18)24-14-12-7-6-11(8-13(12)20(19-14)16(21)22)23-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,21,22)/p-1
InChIKeyOPILWFPMUWRLDF-UHFFFAOYSA-M
MW333.27 g/mol
LogP2.41
Rot. Bonds5

About 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate

3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate (PubChem CID 154080283) has the molecular formula C16H11F2N2O4- and a molecular weight of 333.27 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate
PubChem CID154080283
Molecular FormulaC16H11F2N2O4-
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC Name3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate
SMILESO=C([O-])n1nc(OC(F)F)c2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C16H12F2N2O4/c17-15(18)24-14-12-7-6-11(8-13(12)20(19-14)16(21)22)23-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,21,22)/p-1
InChIKeyOPILWFPMUWRLDF-UHFFFAOYSA-M
XLogP2.41
TPSA76.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(difluoromethoxy)-6-phenylmethoxy-1H-indazole
CID 158287179
2-(difluoromethoxy)-4-phenylmethoxypyridine
CID 18994132
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
CID 130229588
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
1-(1-acetyl-5-phenylmethoxyindazol-3-yl)propan-2-one
CID 22241639
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468
(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate
CID 174635299
N-[2-(difluoromethoxy)phenyl]-4-phenylmethoxybenzamide
CID 2953331
5-(difluoromethoxy)-2-fluoro-3-phenylmethoxybenzoic acid
CID 175537346
butyl 3-cyclohexyl-6-phenylmethoxyindazole-1-carboxylate
CID 86626347
[3-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]methanol
CID 111770249

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate?
The IUPAC name of 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate (CID 154080283) is 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate.
What is the SMILES notation for 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate?
The canonical SMILES for 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate is O=C([O-])n1nc(OC(F)F)c2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate?
The InChIKey is OPILWFPMUWRLDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12F2N2O4/c17-15(18)24-14-12-7-6-11(8-13(12)20(19-14)16(21)22)23-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,21,22)/p-1.
What are the key properties of 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate?
3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate has a molecular weight of 333.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-phenylmethoxyindazole-1-carboxylate is sourced from PubChem (CID 154080283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).