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

C19H18Cl2O3 — CID 11545094

IUPAC3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one
SMILESC=CC(CC(=O)c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2O3/c1-4-12(15-7-5-13(20)10-17(15)21)9-18(22)16-8-6-14(23-2)11-19(16)24-3/h4-8,10-12H,1,9H2,2-3H3
InChIKeyVJXKQFVLRYEXLS-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.55
Rot. Bonds7

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

3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one (PubChem CID 11545094) has the molecular formula C19H18Cl2O3 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one
PubChem CID11545094
Molecular FormulaC19H18Cl2O3
Molecular Weight365.26 g/mol
Exact Mass364.06
IUPAC Name3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one
SMILESC=CC(CC(=O)c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2O3/c1-4-12(15-7-5-13(20)10-17(15)21)9-18(22)16-8-6-14(23-2)11-19(16)24-3/h4-8,10-12H,1,9H2,2-3H3
InChIKeyVJXKQFVLRYEXLS-UHFFFAOYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.55
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)pentan-1-one
CID 11710376
1-(2,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)pent-4-en-1-one
CID 11530050
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(2,4-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480623
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
2,4-dichloro-1-[(1E)-3-(2,4-dimethoxyphenyl)penta-1,4-dienyl]benzene
CID 11530376
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821040
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2637744
3-[1-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)-1,5-dioxopentan-3-yl]benzoic acid
CID 19926499
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one (CID 11545094) is 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one is C=CC(CC(=O)c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one?
The InChIKey is VJXKQFVLRYEXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O3/c1-4-12(15-7-5-13(20)10-17(15)21)9-18(22)16-8-6-14(23-2)11-19(16)24-3/h4-8,10-12H,1,9H2,2-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one?
3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one has a molecular weight of 365.26 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one is sourced from PubChem (CID 11545094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).