1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone

C14H18Cl2O4 — CID 103178840

IUPAC1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
SMILESCOCCCOCCOCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2O4/c1-18-5-2-6-19-7-8-20-10-14(17)12-4-3-11(15)9-13(12)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyVLWVVTDOYDPJOL-UHFFFAOYSA-N
MW321.20 g/mol
LogP3.25
Rot. Bonds10

About 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone

1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone (PubChem CID 103178840) has the molecular formula C14H18Cl2O4 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
PubChem CID103178840
Molecular FormulaC14H18Cl2O4
Molecular Weight321.20 g/mol
Exact Mass320.06
IUPAC Name1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
SMILESCOCCCOCCOCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2O4/c1-18-5-2-6-19-7-8-20-10-14(17)12-4-3-11(15)9-13(12)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyVLWVVTDOYDPJOL-UHFFFAOYSA-N
XLogP3.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625
1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
CID 54936394
1-(2,5-dichlorophenyl)-2-heptoxyethanone
CID 43800122
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570061
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
CID 104563843
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
2,4-dichloro-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108567011

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone (CID 103178840) is 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone is COCCCOCCOCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
The InChIKey is VLWVVTDOYDPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O4/c1-18-5-2-6-19-7-8-20-10-14(17)12-4-3-11(15)9-13(12)16/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone has a molecular weight of 321.20 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone is sourced from PubChem (CID 103178840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).