3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one

C19H20Cl2O3 — CID 11710376

IUPAC3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one
SMILESCCC(CC(=O)c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2O3/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/h5-8,10-12H,4,9H2,1-3H3
InChIKeyGIDIXNGJJVDLJR-UHFFFAOYSA-N
MW367.27 g/mol
LogP5.78
Rot. Bonds7

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

3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one (PubChem CID 11710376) has the molecular formula C19H20Cl2O3 and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one
PubChem CID11710376
Molecular FormulaC19H20Cl2O3
Molecular Weight367.27 g/mol
Exact Mass366.08
IUPAC Name3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one
SMILESCCC(CC(=O)c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2O3/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/h5-8,10-12H,4,9H2,1-3H3
InChIKeyGIDIXNGJJVDLJR-UHFFFAOYSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.27
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pent-4-en-1-one
CID 11545094
1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)pentan-1-ol
CID 11667808
1-(2,4-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480623
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
3-[1-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)-1,5-dioxopentan-3-yl]benzoic acid
CID 19926499
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2463382
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
3-amino-1-(2-ethoxy-4-methoxyphenyl)propan-1-one
CID 117319761
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one (CID 11710376) is 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one is CCC(CC(=O)c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one?
The InChIKey is GIDIXNGJJVDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O3/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/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one?
3-(2,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)pentan-1-one has a molecular weight of 367.27 g/mol, XLogP of 5.78, 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)pentan-1-one is sourced from PubChem (CID 11710376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).