(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one

C16H12F2O — CID 8826849

IUPAC(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H12F2O/c1-11-2-4-12(5-3-11)6-9-16(19)14-8-7-13(17)10-15(14)18/h2-10H,1H3/b9-6+
InChIKeyDSFGJMRYJBDDDT-RMKNXTFCSA-N
MW258.27 g/mol
LogP4.17
Rot. Bonds3

About (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one

(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one (PubChem CID 8826849) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
PubChem CID8826849
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H12F2O/c1-11-2-4-12(5-3-11)6-9-16(19)14-8-7-13(17)10-15(14)18/h2-10H,1H3/b9-6+
InChIKeyDSFGJMRYJBDDDT-RMKNXTFCSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.17
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

4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 8826837
methyl 4-[(E)-3-(2,4-difluorophenyl)-3-oxoprop-1-enyl]benzoate
CID 17391085
(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7945631
(E)-1-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8826833
1-(2,4-difluorophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849641
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 75849640
3-(4-bromophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 66667100
3-(4-chloro-3-nitrophenyl)-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 4820202
(E)-1-(2-hydroxy-3,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 7575127
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 7945623
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 75849637
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one (CID 8826849) is (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is DSFGJMRYJBDDDT-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12F2O/c1-11-2-4-12(5-3-11)6-9-16(19)14-8-7-13(17)10-15(14)18/h2-10H,1H3/b9-6+.
What are the key properties of (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one?
(E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 258.27 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-difluorophenyl)-3-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 8826849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).