2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol

C18H17FN2O3 — CID 111630051

IUPAC2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol
SMILESOCCOc1ccc(OCc2ccn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2O3/c19-14-1-3-16(4-2-14)21-10-9-15(20-21)13-24-18-7-5-17(6-8-18)23-12-11-22/h1-10,22H,11-13H2
InChIKeyFDGJVAZSERKJNZ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.96
Rot. Bonds7

About 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol

2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol (PubChem CID 111630051) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol
PubChem CID111630051
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol
SMILESOCCOc1ccc(OCc2ccn(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H17FN2O3/c19-14-1-3-16(4-2-14)21-10-9-15(20-21)13-24-18-7-5-17(6-8-18)23-12-11-22/h1-10,22H,11-13H2
InChIKeyFDGJVAZSERKJNZ-UHFFFAOYSA-N
XLogP2.96
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol?
The IUPAC name of 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol (CID 111630051) is 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol is OCCOc1ccc(OCc2ccn(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol?
The InChIKey is FDGJVAZSERKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-1-3-16(4-2-14)21-10-9-15(20-21)13-24-18-7-5-17(6-8-18)23-12-11-22/h1-10,22H,11-13H2.
What are the key properties of 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol?
2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol has a molecular weight of 328.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol is sourced from PubChem (CID 111630051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).