1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone

C13H18Cl2O5S — CID 104563843

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
SMILESCOCCOCCOCCOCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H18Cl2O5S/c1-17-2-3-18-4-5-19-6-7-20-9-11(16)10-8-12(14)21-13(10)15/h8H,2-7,9H2,1H3
InChIKeyOQJQZWOGEDQDHF-UHFFFAOYSA-N
MW357.26 g/mol
LogP2.93
Rot. Bonds12

About 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone (PubChem CID 104563843) has the molecular formula C13H18Cl2O5S and a molecular weight of 357.26 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
PubChem CID104563843
Molecular FormulaC13H18Cl2O5S
Molecular Weight357.26 g/mol
Exact Mass356.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
SMILESCOCCOCCOCCOCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H18Cl2O5S/c1-17-2-3-18-4-5-19-6-7-20-9-11(16)10-8-12(14)21-13(10)15/h8H,2-7,9H2,1H3
InChIKeyOQJQZWOGEDQDHF-UHFFFAOYSA-N
XLogP2.93
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(3-methoxy-3-methylbutoxy)ethanone
CID 106666271
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801651
1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948907
1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43220131
1-(2,5-dichlorothiophen-3-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031401
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylhexoxy)ethanone
CID 43800418
methyl N-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]carbamate
CID 21283503
1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178840
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929
2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide
CID 106306811

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone (CID 104563843) is 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone is COCCOCCOCCOCC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone?
The InChIKey is OQJQZWOGEDQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2O5S/c1-17-2-3-18-4-5-19-6-7-20-9-11(16)10-8-12(14)21-13(10)15/h8H,2-7,9H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone has a molecular weight of 357.26 g/mol, XLogP of 2.93, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone is sourced from PubChem (CID 104563843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).