(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one

C24H18O2 — CID 5369391

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

About (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one

(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one (PubChem CID 5369391) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
PubChem CID5369391
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C24H18O2/c25-23(17-11-19-7-3-1-4-8-19)21-13-15-22(16-14-21)24(26)18-12-20-9-5-2-6-10-20/h1-18H/b17-11+,18-12+
InChIKeyYDJKHVQLADEYIK-JYFOCSDGSA-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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Related Compounds

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(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-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
1-[4-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
CID 123882719
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one (CID 5369391) is (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc(C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one?
The InChIKey is YDJKHVQLADEYIK-JYFOCSDGSA-N. The full InChI is InChI=1S/C24H18O2/c25-23(17-11-19-7-3-1-4-8-19)21-13-15-22(16-14-21)24(26)18-12-20-9-5-2-6-10-20/h1-18H/b17-11+,18-12+.
What are the key properties of (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one?
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-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-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 5369391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).