2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol

C23H20N2O4 — CID 1414886

IUPAC2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
SMILESCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C23H20N2O4/c1-27-20-9-5-6-10-21(20)29-22-14-24-25-23(22)18-12-11-17(13-19(18)26)28-15-16-7-3-2-4-8-16/h2-14,26H,15H2,1H3,(H,24,25)
InChIKeyMGDWHDMEKYLLHM-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.16
Rot. Bonds7

About 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol

2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol (PubChem CID 1414886) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
PubChem CID1414886
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
SMILESCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C23H20N2O4/c1-27-20-9-5-6-10-21(20)29-22-14-24-25-23(22)18-12-11-17(13-19(18)26)28-15-16-7-3-2-4-8-16/h2-14,26H,15H2,1H3,(H,24,25)
InChIKeyMGDWHDMEKYLLHM-UHFFFAOYSA-N
XLogP5.16
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol (CID 1414886) is 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol is COc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol?
The InChIKey is MGDWHDMEKYLLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-20-9-5-6-10-21(20)29-22-14-24-25-23(22)18-12-11-17(13-19(18)26)28-15-16-7-3-2-4-8-16/h2-14,26H,15H2,1H3,(H,24,25).
What are the key properties of 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol?
2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol has a molecular weight of 388.42 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol is sourced from PubChem (CID 1414886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).