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

C24H20N2O3 — CID 129137300

IUPAC3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
SMILESOc1ccc(C(=C(Cn2ccnc2)c2cccc(O)c2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20N2O3/c27-20-8-4-17(5-9-20)24(18-6-10-21(28)11-7-18)23(15-26-13-12-25-16-26)19-2-1-3-22(29)14-19/h1-14,16,27-29H,15H2
InChIKeyAUBGJNRZATUMRK-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.66
Rot. Bonds5

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

3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol (PubChem CID 129137300) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol.

Molecular Properties

Compound Name3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
PubChem CID129137300
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
SMILESOc1ccc(C(=C(Cn2ccnc2)c2cccc(O)c2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H20N2O3/c27-20-8-4-17(5-9-20)24(18-6-10-21(28)11-7-18)23(15-26-13-12-25-16-26)19-2-1-3-22(29)14-19/h1-14,16,27-29H,15H2
InChIKeyAUBGJNRZATUMRK-UHFFFAOYSA-N
XLogP4.66
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,4-diol
CID 42642718
1-(4-Hydroxybenzyl)imidazole
CID 193822
4''-(1H-Imidazol-1-yl-propyl)-biphenyl-4-ol
CID 42642716
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3-ol
CID 42642717
rac-4''-(1-Imidazol-1-yl-propyl)-biphenyl-3,5-diol
CID 42642719
7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol
CID 44586828
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
CID 129137244
4-[1,1-Bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]-2-fluorophenol
CID 129137246
4-[1-(4-Hydroxyphenyl)-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol
CID 129137293
4-[2-(3-Aminophenyl)-1-(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-enyl]phenol
CID 129137294
4-[1,1-Bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol
CID 129137306
Imidazole-1-ethanol, alpha-(3,4-dihydroxyphenyl)-, monohydrochloride
CID 3057027

Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
The IUPAC name of 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol (CID 129137300) is 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol.
What is the SMILES notation for 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
The canonical SMILES for 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol is Oc1ccc(C(=C(Cn2ccnc2)c2cccc(O)c2)c2ccc(O)cc2)cc1.
What is the InChIKey of 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
The InChIKey is AUBGJNRZATUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-20-8-4-17(5-9-20)24(18-6-10-21(28)11-7-18)23(15-26-13-12-25-16-26)19-2-1-3-22(29)14-19/h1-14,16,27-29H,15H2.
What are the key properties of 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol?
3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol has a molecular weight of 384.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis(4-hydroxyphenyl)-3-imidazol-1-ylprop-1-en-2-yl]phenol is sourced from PubChem (CID 129137300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).