(Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one

C24H21NO3 — CID 135733094

IUPAC(Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(/C=N/CCc1ccc(O)cc1)=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3/c26-21-13-11-18(12-14-21)15-16-25-17-22(23(27)19-7-3-1-4-8-19)24(28)20-9-5-2-6-10-20/h1-14,17,26-27H,15-16H2/b23-22-,25-17+
InChIKeyBBAQMRUJWMHQCB-GZFXZKQZSA-N
MW371.44 g/mol
LogP4.86
Rot. Bonds7

About (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one

(Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one (PubChem CID 135733094) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one
PubChem CID135733094
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one
SMILESO=C(C(/C=N/CCc1ccc(O)cc1)=C(\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO3/c26-21-13-11-18(12-14-21)15-16-25-17-22(23(27)19-7-3-1-4-8-19)24(28)20-9-5-2-6-10-20/h1-14,17,26-27H,15-16H2/b23-22-,25-17+
InChIKeyBBAQMRUJWMHQCB-GZFXZKQZSA-N
XLogP4.86
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one
CID 135414773
ethyl 2-[[(E)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]amino]acetate
CID 135441648
(1E)-1-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]-3-benzylthiourea
CID 135442850
(2S)-2-(benzhydrylideneamino)-3-(4-hydroxyphenyl)propanoic acid
CID 146628240
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-[4-(phenacylideneamino)butylimino]-1-phenylethanone
CID 102036935
4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid
CID 54335260
benzene-1,4-diol;benzoic acid
CID 67019242
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione bromide
CID 86754555

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one (CID 135733094) is (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one is O=C(C(/C=N/CCc1ccc(O)cc1)=C(\O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one?
The InChIKey is BBAQMRUJWMHQCB-GZFXZKQZSA-N. The full InChI is InChI=1S/C24H21NO3/c26-21-13-11-18(12-14-21)15-16-25-17-22(23(27)19-7-3-1-4-8-19)24(28)20-9-5-2-6-10-20/h1-14,17,26-27H,15-16H2/b23-22-,25-17+.
What are the key properties of (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one?
(Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one has a molecular weight of 371.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-[2-(4-hydroxyphenyl)ethyliminomethyl]-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 135733094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).