4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol

C15H16N2O — CID 155533142

IUPAC4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
SMILESC=CCc1ccc(O)c(-c2ccn(CC=C)n2)c1
InChIInChI=1S/C15H16N2O/c1-3-5-12-6-7-15(18)13(11-12)14-8-10-17(16-14)9-4-2/h3-4,6-8,10-11,18H,1-2,5,9H2
InChIKeyDWOHYUFSQRAMEQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.17
Rot. Bonds5

About 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol

4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol (PubChem CID 155533142) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
PubChem CID155533142
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
SMILESC=CCc1ccc(O)c(-c2ccn(CC=C)n2)c1
InChIInChI=1S/C15H16N2O/c1-3-5-12-6-7-15(18)13(11-12)14-8-10-17(16-14)9-4-2/h3-4,6-8,10-11,18H,1-2,5,9H2
InChIKeyDWOHYUFSQRAMEQ-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The IUPAC name of 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol (CID 155533142) is 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The canonical SMILES for 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol is C=CCc1ccc(O)c(-c2ccn(CC=C)n2)c1.
What is the InChIKey of 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The InChIKey is DWOHYUFSQRAMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-5-12-6-7-15(18)13(11-12)14-8-10-17(16-14)9-4-2/h3-4,6-8,10-11,18H,1-2,5,9H2.
What are the key properties of 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol?
4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol has a molecular weight of 240.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol is sourced from PubChem (CID 155533142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).