4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol

C24H23NO2 — CID 42634112

IUPAC4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(c2ccc(O)c(CC=C)c2)c2ccccn2)ccc1O
InChIInChI=1S/C24H23NO2/c1-3-7-17-15-19(10-12-22(17)26)24(21-9-5-6-14-25-21)20-11-13-23(27)18(16-20)8-4-2/h3-6,9-16,24,26-27H,1-2,7-8H2
InChIKeyJQMPPJVXAHTUKE-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.13
Rot. Bonds7

About 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol

4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol (PubChem CID 42634112) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol
PubChem CID42634112
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(c2ccc(O)c(CC=C)c2)c2ccccn2)ccc1O
InChIInChI=1S/C24H23NO2/c1-3-7-17-15-19(10-12-22(17)26)24(21-9-5-6-14-25-21)20-11-13-23(27)18(16-20)8-4-2/h3-6,9-16,24,26-27H,1-2,7-8H2
InChIKeyJQMPPJVXAHTUKE-UHFFFAOYSA-N
XLogP5.13
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
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-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol?
The IUPAC name of 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol (CID 42634112) is 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol is C=CCc1cc(C(c2ccc(O)c(CC=C)c2)c2ccccn2)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol?
The InChIKey is JQMPPJVXAHTUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-3-7-17-15-19(10-12-22(17)26)24(21-9-5-6-14-25-21)20-11-13-23(27)18(16-20)8-4-2/h3-6,9-16,24,26-27H,1-2,7-8H2.
What are the key properties of 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol?
4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol has a molecular weight of 357.45 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-prop-2-enylphenyl)-pyridin-2-ylmethyl]-2-prop-2-enylphenol is sourced from PubChem (CID 42634112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).