3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one

C21H15FO — CID 4672651

IUPAC3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15FO/c22-20-13-6-16(7-14-20)8-15-21(23)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H
InChIKeyCOFYPPRPNNDDRN-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.39
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one

3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 4672651) has the molecular formula C21H15FO and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID4672651
Molecular FormulaC21H15FO
Molecular Weight302.35 g/mol
Exact Mass302.11
IUPAC Name3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H15FO/c22-20-13-6-16(7-14-20)8-15-21(23)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H
InChIKeyCOFYPPRPNNDDRN-UHFFFAOYSA-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

(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
(E)-3-[3-(4-fluorophenyl)phenyl]-1-phenylprop-2-en-1-one
CID 137321349
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-[3-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57390960
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1-(4-ethylsulfanylphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 67828986
4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]benzonitrile
CID 7515031
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
3-[4-(2-hydroxyphenyl)phenyl]-1-phenylprop-2-en-1-one
CID 174731066

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one (CID 4672651) is 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one is O=C(C=Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is COFYPPRPNNDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO/c22-20-13-6-16(7-14-20)8-15-21(23)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H.
What are the key properties of 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one?
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-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 3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 4672651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).