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

C21H16O3 — CID 5378867

IUPAC(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-18-10-6-15(7-11-18)14-20(16-8-12-19(23)13-9-16)21(24)17-4-2-1-3-5-17/h1-14,22-23H/b20-14+
InChIKeyLWNVZKQHJWTSJM-XSFVSMFZSA-N
MW316.36 g/mol
LogP4.52
Rot. Bonds4

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

(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 5378867) has the molecular formula C21H16O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID5378867
Molecular FormulaC21H16O3
Molecular Weight316.36 g/mol
Exact Mass316.11
IUPAC Name(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H16O3/c22-18-10-6-15(7-11-18)14-20(16-8-12-19(23)13-9-16)21(24)17-4-2-1-3-5-17/h1-14,22-23H/b20-14+
InChIKeyLWNVZKQHJWTSJM-XSFVSMFZSA-N
XLogP4.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5388476
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one
CID 168881643
3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135874837
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
(2E,3Z)-3-(1-hydroxyethylidene)-2-[(4-hydroxyphenyl)methylidene]-1-phenylpentane-1,4-dione
CID 11244167
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-2-ylprop-2-enoic acid
CID 67704998
(Z)-3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-2-phenylprop-2-en-1-one
CID 46934100
(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229426
1-(4-methylsulfonylphenyl)-2-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 57398851
(Z)-2,3-diphenylprop-2-enamide
CID 6016357

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one (CID 5378867) is (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one is O=C(/C(=C/c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is LWNVZKQHJWTSJM-XSFVSMFZSA-N. The full InChI is InChI=1S/C21H16O3/c22-18-10-6-15(7-11-18)14-20(16-8-12-19(23)13-9-16)21(24)17-4-2-1-3-5-17/h1-14,22-23H/b20-14+.
What are the key properties of (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one?
(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 316.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5378867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).