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

C16H12F2O2 — CID 75849637

IUPAC1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C=CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2O2/c1-20-16-5-3-2-4-11(16)6-9-15(19)13-8-7-12(17)10-14(13)18/h2-10H,1H3
InChIKeyAGVZWFLQXFNMIS-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.87
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 75849637) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID75849637
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C=CC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2O2/c1-20-16-5-3-2-4-11(16)6-9-15(19)13-8-7-12(17)10-14(13)18/h2-10H,1H3
InChIKeyAGVZWFLQXFNMIS-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.87
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

(E)-1-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8826833
(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7945612
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 75849640
(E)-1-(2,4-difluorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 8826829
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
1-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 3425337
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 7945623
[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
CID 71385450
(E)-1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)prop-2-en-1-one
CID 7945631

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one (CID 75849637) is 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one is COc1ccccc1C=CC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is AGVZWFLQXFNMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c1-20-16-5-3-2-4-11(16)6-9-15(19)13-8-7-12(17)10-14(13)18/h2-10H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one?
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 274.27 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 75849637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).