1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one

C19H14N2O — CID 175171565

IUPAC1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1-c1ncccn1)c1ccccc1
InChIInChI=1S/C19H14N2O/c22-18(16-8-2-1-3-9-16)12-11-15-7-4-5-10-17(15)19-20-13-6-14-21-19/h1-14H
InChIKeyCKZBPSVXLZLRSC-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.04
Rot. Bonds4

About 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one

1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one (PubChem CID 175171565) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one
PubChem CID175171565
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccccc1-c1ncccn1)c1ccccc1
InChIInChI=1S/C19H14N2O/c22-18(16-8-2-1-3-9-16)12-11-15-7-4-5-10-17(15)19-20-13-6-14-21-19/h1-14H
InChIKeyCKZBPSVXLZLRSC-UHFFFAOYSA-N
XLogP4.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
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3-(2-acridin-4-ylphenyl)-1-phenylprop-2-en-1-one
CID 163359169
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
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CID 57095346
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-1-phenyl-3-quinolin-6-ylprop-2-en-1-one
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(E)-3-(2-methyltellanylphenyl)-1-phenylprop-2-en-1-one
CID 135051772
3-(2,3-difluorophenyl)-1-phenylprop-2-en-1-one
CID 72689101
3-[2-(aminomethyl)phenyl]-1-phenylprop-2-en-1-one
CID 174792715
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one (CID 175171565) is 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one is O=C(C=Cc1ccccc1-c1ncccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one?
The InChIKey is CKZBPSVXLZLRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-18(16-8-2-1-3-9-16)12-11-15-7-4-5-10-17(15)19-20-13-6-14-21-19/h1-14H.
What are the key properties of 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one?
1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one has a molecular weight of 286.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-pyrimidin-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 175171565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).