(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one

C22H18O2 — CID 14547201

IUPAC(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one
SMILESC/C(=C(\C(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c1-16(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)22(24)19-12-14-20(23)15-13-19/h2-15,23H,1H3/b21-16+
InChIKeyUMBKOVUSSJLOMU-LTGZKZEYSA-N
MW314.38 g/mol
LogP5.21
Rot. Bonds4

About (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one

(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one (PubChem CID 14547201) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one
PubChem CID14547201
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one
SMILESC/C(=C(\C(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O2/c1-16(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)22(24)19-12-14-20(23)15-13-19/h2-15,23H,1H3/b21-16+
InChIKeyUMBKOVUSSJLOMU-LTGZKZEYSA-N
XLogP5.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenyl)-phenylmethanone
CID 139062648
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-N-methyl-2,3-diphenylbut-2-enamide
CID 142095500
(E)-2-(4-hydroxyphenyl)but-2-enoic acid;(Z)-3-hydroxy-2-phenylbut-2-enoic acid
CID 162065004
benzene-1,4-diol;benzoic acid
CID 67019242
acetic acid;phenol
CID 70537927
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one?
The IUPAC name of (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one (CID 14547201) is (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one.
What is the SMILES notation for (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one?
The canonical SMILES for (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one is C/C(=C(\C(=O)c1ccc(O)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one?
The InChIKey is UMBKOVUSSJLOMU-LTGZKZEYSA-N. The full InChI is InChI=1S/C22H18O2/c1-16(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)22(24)19-12-14-20(23)15-13-19/h2-15,23H,1H3/b21-16+.
What are the key properties of (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one?
(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one has a molecular weight of 314.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one is sourced from PubChem (CID 14547201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).