4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol

C24H19FN2O3 — CID 129137246

IUPAC4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol
SMILESOc1ccc(C(=C(Cn2ccnc2)c2ccc(O)c(F)c2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19FN2O3/c25-22-13-18(5-10-23(22)30)21(14-27-12-11-26-15-27)24(16-1-6-19(28)7-2-16)17-3-8-20(29)9-4-17/h1-13,15,28-30H,14H2
InChIKeyIXOMVICDLBGZFI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.80
Rot. Bonds5

About 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol

4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol (PubChem CID 129137246) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol
PubChem CID129137246
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol
SMILESOc1ccc(C(=C(Cn2ccnc2)c2ccc(O)c(F)c2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H19FN2O3/c25-22-13-18(5-10-23(22)30)21(14-27-12-11-26-15-27)24(16-1-6-19(28)7-2-16)17-3-8-20(29)9-4-17/h1-13,15,28-30H,14H2
InChIKeyIXOMVICDLBGZFI-UHFFFAOYSA-N
XLogP4.80
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol?
The IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol (CID 129137246) is 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol is Oc1ccc(C(=C(Cn2ccnc2)c2ccc(O)c(F)c2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol?
The InChIKey is IXOMVICDLBGZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-22-13-18(5-10-23(22)30)21(14-27-12-11-26-15-27)24(16-1-6-19(28)7-2-16)17-3-8-20(29)9-4-17/h1-13,15,28-30H,14H2.
What are the key properties of 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol?
4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol has a molecular weight of 402.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol is sourced from PubChem (CID 129137246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).