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

C21H15FO — CID 137321349

IUPAC(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C21H15FO/c22-20-12-10-17(11-13-20)19-8-4-5-16(15-19)9-14-21(23)18-6-2-1-3-7-18/h1-15H/b14-9+
InChIKeyMDRYMIGGTPUNKO-NTEUORMPSA-N
MW302.35 g/mol
LogP5.39
Rot. Bonds4

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

(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 137321349) has the molecular formula C21H15FO and a molecular weight of 302.35 g/mol. Its IUPAC name is (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
PubChem CID137321349
Molecular FormulaC21H15FO
Molecular Weight302.35 g/mol
Exact Mass302.11
IUPAC Name(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C21H15FO/c22-20-12-10-17(11-13-20)19-8-4-5-16(15-19)9-14-21(23)18-6-2-1-3-7-18/h1-15H/b14-9+
InChIKeyMDRYMIGGTPUNKO-NTEUORMPSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57390960
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzoate
CID 5087937
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
(E)-1-phenyl-3-(3-sulfanylphenyl)prop-2-en-1-one
CID 101356551
[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6124036
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-1-(6-bromo-2-pyridinyl)-3-(3-phenylphenyl)prop-2-en-1-one
CID 156554922
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one (CID 137321349) is (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one is O=C(/C=C/c1cccc(-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is MDRYMIGGTPUNKO-NTEUORMPSA-N. The full InChI is InChI=1S/C21H15FO/c22-20-12-10-17(11-13-20)19-8-4-5-16(15-19)9-14-21(23)18-6-2-1-3-7-18/h1-15H/b14-9+.
What are the key properties of (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 302.35 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 137321349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).