1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one

C19H18F2O3 — CID 11530050

IUPAC1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one
SMILESC=CC(CC(=O)c1ccc(F)cc1F)c1ccc(OC)cc1OC
InChIInChI=1S/C19H18F2O3/c1-4-12(15-8-6-14(23-2)11-19(15)24-3)9-18(22)16-7-5-13(20)10-17(16)21/h4-8,10-12H,1,9H2,2-3H3
InChIKeyTVKSSVXMDKZKGD-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.52
Rot. Bonds7

About 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one

1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one (PubChem CID 11530050) has the molecular formula C19H18F2O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one
PubChem CID11530050
Molecular FormulaC19H18F2O3
Molecular Weight332.35 g/mol
Exact Mass332.12
IUPAC Name1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one
SMILESC=CC(CC(=O)c1ccc(F)cc1F)c1ccc(OC)cc1OC
InChIInChI=1S/C19H18F2O3/c1-4-12(15-8-6-14(23-2)11-19(15)24-3)9-18(22)16-7-5-13(20)10-17(16)21/h4-8,10-12H,1,9H2,2-3H3
InChIKeyTVKSSVXMDKZKGD-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one
CID 11545094
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one
CID 10926906
[2-(2,4-difluorophenyl)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 17448025
4-(2,4-difluorophenyl)-2-(5-methoxy-1H-indol-3-yl)-4-oxobutanoic acid
CID 139328118
(2-acetyl-5-methoxyphenyl) 2,4-difluorobenzoate
CID 17409562
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 9200265
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
(2,4-dimethoxyphenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089367

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one (CID 11530050) is 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one is C=CC(CC(=O)c1ccc(F)cc1F)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one?
The InChIKey is TVKSSVXMDKZKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O3/c1-4-12(15-8-6-14(23-2)11-19(15)24-3)9-18(22)16-7-5-13(20)10-17(16)21/h4-8,10-12H,1,9H2,2-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one?
1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one has a molecular weight of 332.35 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one is sourced from PubChem (CID 11530050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).