[1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate

C19H17FO4 — CID 118736247

IUPAC[1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate
SMILESC=C(C(=O)c1ccc(OC)cc1)C(OC(C)=O)c1ccccc1F
InChIInChI=1S/C19H17FO4/c1-12(18(22)14-8-10-15(23-3)11-9-14)19(24-13(2)21)16-6-4-5-7-17(16)20/h4-11,19H,1H2,2-3H3
InChIKeyUDWCYLNKDISEAP-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.88
Rot. Bonds6

About [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate

[1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate (PubChem CID 118736247) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate
PubChem CID118736247
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name[1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate
SMILESC=C(C(=O)c1ccc(OC)cc1)C(OC(C)=O)c1ccccc1F
InChIInChI=1S/C19H17FO4/c1-12(18(22)14-8-10-15(23-3)11-9-14)19(24-13(2)21)16-6-4-5-7-17(16)20/h4-11,19H,1H2,2-3H3
InChIKeyUDWCYLNKDISEAP-UHFFFAOYSA-N
XLogP3.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
tert-butyl 2-[(2-fluorophenyl)-[(2-methylpropan-2-yl)oxycarbonyloxy]methyl]prop-2-enoate
CID 135077028
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
[1-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] acetate
CID 3781512
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2-(4-methoxyphenyl)-2-oxoacetic acid;tris(propan-2-ol);titanium
CID 10573266

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate?
The IUPAC name of [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate (CID 118736247) is [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate.
What is the SMILES notation for [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate?
The canonical SMILES for [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate is C=C(C(=O)c1ccc(OC)cc1)C(OC(C)=O)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate?
The InChIKey is UDWCYLNKDISEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/c1-12(18(22)14-8-10-15(23-3)11-9-14)19(24-13(2)21)16-6-4-5-7-17(16)20/h4-11,19H,1H2,2-3H3.
What are the key properties of [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate?
[1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate has a molecular weight of 328.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-2-(4-methoxybenzoyl)prop-2-enyl] acetate is sourced from PubChem (CID 118736247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).