2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene

C16H19ClO2S — CID 43366790

IUPAC2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
SMILESCCOc1cccc(CCl)c1OCc1ccc(CC)s1
InChIInChI=1S/C16H19ClO2S/c1-3-13-8-9-14(20-13)11-19-16-12(10-17)6-5-7-15(16)18-4-2/h5-9H,3-4,10-11H2,1-2H3
InChIKeyUPHZKFFQMBVMNZ-UHFFFAOYSA-N
MW310.85 g/mol
LogP5.03
Rot. Bonds7

About 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene

2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene (PubChem CID 43366790) has the molecular formula C16H19ClO2S and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
PubChem CID43366790
Molecular FormulaC16H19ClO2S
Molecular Weight310.85 g/mol
Exact Mass310.08
IUPAC Name2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
SMILESCCOc1cccc(CCl)c1OCc1ccc(CC)s1
InChIInChI=1S/C16H19ClO2S/c1-3-13-8-9-14(20-13)11-19-16-12(10-17)6-5-7-15(16)18-4-2/h5-9H,3-4,10-11H2,1-2H3
InChIKeyUPHZKFFQMBVMNZ-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.85
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
CID 43174566
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyrimidine
CID 62699199
1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882456
N-[[2-[(5-chlorothiophen-2-yl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 60882838
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814
1-(chloromethyl)-3-ethoxy-2-(2-methylpropoxy)benzene
CID 43366782
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65457606
1-(chloromethyl)-3-ethoxy-2-(3-methylbutoxy)benzene
CID 43366787
2-[(5-bromo-2-fluorophenyl)methoxy]-1-(chloromethyl)-3-ethoxybenzene
CID 43366805
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]-5-ethylthiophene
CID 43516795
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-1-methylpyrazole
CID 62126746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene?
The IUPAC name of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene (CID 43366790) is 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene?
The canonical SMILES for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene is CCOc1cccc(CCl)c1OCc1ccc(CC)s1.
What is the InChIKey of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene?
The InChIKey is UPHZKFFQMBVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO2S/c1-3-13-8-9-14(20-13)11-19-16-12(10-17)6-5-7-15(16)18-4-2/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene?
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene has a molecular weight of 310.85 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene is sourced from PubChem (CID 43366790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).