(E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one

C24H18O2 — CID 5367065

IUPAC(E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H18O2/c25-23(21-7-3-1-4-8-21)17-15-19-11-13-20(14-12-19)16-18-24(26)22-9-5-2-6-10-22/h1-18H/b17-15+,18-16+
InChIKeyISDFLLZGOWAGAF-YTEMWHBBSA-N
MW338.41 g/mol
LogP5.48
Rot. Bonds6

About (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one

(E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one (PubChem CID 5367065) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one
PubChem CID5367065
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H18O2/c25-23(21-7-3-1-4-8-21)17-15-19-11-13-20(14-12-19)16-18-24(26)22-9-5-2-6-10-22/h1-18H/b17-15+,18-16+
InChIKeyISDFLLZGOWAGAF-YTEMWHBBSA-N
XLogP5.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one (CID 5367065) is (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is ISDFLLZGOWAGAF-YTEMWHBBSA-N. The full InChI is InChI=1S/C24H18O2/c25-23(21-7-3-1-4-8-21)17-15-19-11-13-20(14-12-19)16-18-24(26)22-9-5-2-6-10-22/h1-18H/b17-15+,18-16+.
What are the key properties of (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 338.41 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5367065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).