(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one

C20H15NO2 — CID 155530544

IUPAC(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2cccnc2)cc1)c1cccc(O)c1
InChIInChI=1S/C20H15NO2/c22-19-5-1-3-17(13-19)20(23)11-8-15-6-9-16(10-7-15)18-4-2-12-21-14-18/h1-14,22H/b11-8+
InChIKeySTIQSWSUIPGZMK-DHZHZOJOSA-N
MW301.35 g/mol
LogP4.35
Rot. Bonds4

About (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one

(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one (PubChem CID 155530544) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one
PubChem CID155530544
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2cccnc2)cc1)c1cccc(O)c1
InChIInChI=1S/C20H15NO2/c22-19-5-1-3-17(13-19)20(23)11-8-15-6-9-16(10-7-15)18-4-2-12-21-14-18/h1-14,22H/b11-8+
InChIKeySTIQSWSUIPGZMK-DHZHZOJOSA-N
XLogP4.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenopicolinic acid
CID 3043792
3-(Pyridin-3-yl)benzoic acid
CID 2795575
(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
4-Pyridin-3-yl-benzoic acid
CID 1515244
(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5356048
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol
CID 46901610
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one (CID 155530544) is (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(-c2cccnc2)cc1)c1cccc(O)c1.
What is the InChIKey of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one?
The InChIKey is STIQSWSUIPGZMK-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H15NO2/c22-19-5-1-3-17(13-19)20(23)11-8-15-6-9-16(10-7-15)18-4-2-12-21-14-18/h1-14,22H/b11-8+.
What are the key properties of (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one?
(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one has a molecular weight of 301.35 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 155530544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).