1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole

C18H16N2O2 — CID 67887631

IUPAC1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole
SMILESC=CC(Oc1ccccc1Oc1ccccc1)n1cccn1
InChIInChI=1S/C18H16N2O2/c1-2-18(20-14-8-13-19-20)22-17-12-7-6-11-16(17)21-15-9-4-3-5-10-15/h2-14,18H,1H2
InChIKeyPSIIVIURUNNKGI-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.44
Rot. Bonds6

About 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole

1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole (PubChem CID 67887631) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole.

Molecular Properties

Compound Name1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole
PubChem CID67887631
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole
SMILESC=CC(Oc1ccccc1Oc1ccccc1)n1cccn1
InChIInChI=1S/C18H16N2O2/c1-2-18(20-14-8-13-19-20)22-17-12-7-6-11-16(17)21-15-9-4-3-5-10-15/h2-14,18H,1H2
InChIKeyPSIIVIURUNNKGI-UHFFFAOYSA-N
XLogP4.44
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole?
The IUPAC name of 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole (CID 67887631) is 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole.
What is the SMILES notation for 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole?
The canonical SMILES for 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole is C=CC(Oc1ccccc1Oc1ccccc1)n1cccn1.
What is the InChIKey of 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole?
The InChIKey is PSIIVIURUNNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-18(20-14-8-13-19-20)22-17-12-7-6-11-16(17)21-15-9-4-3-5-10-15/h2-14,18H,1H2.
What are the key properties of 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole?
1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole has a molecular weight of 292.34 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyphenoxy)prop-2-enyl]pyrazole is sourced from PubChem (CID 67887631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).