2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde

C14H14O3S — CID 54097921

IUPAC2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde
SMILESO=CCOCCOc1cccc(-c2ccsc2)c1
InChIInChI=1S/C14H14O3S/c15-5-6-16-7-8-17-14-3-1-2-12(10-14)13-4-9-18-11-13/h1-5,9-11H,6-8H2
InChIKeyMYLRTEXBHIUHFP-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.01
Rot. Bonds7

About 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde

2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde (PubChem CID 54097921) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde
PubChem CID54097921
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde
SMILESO=CCOCCOc1cccc(-c2ccsc2)c1
InChIInChI=1S/C14H14O3S/c15-5-6-16-7-8-17-14-3-1-2-12(10-14)13-4-9-18-11-13/h1-5,9-11H,6-8H2
InChIKeyMYLRTEXBHIUHFP-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pent-4-enoxyphenyl)thiophene
CID 19086978
methyl 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]propanoate
CID 19917015
N-ethyl-2-[2-(3-thiophen-3-ylphenoxy)ethylsulfanyl]ethanamine
CID 19917000
[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol
CID 54262502
N-ethyl-6,6-dimethyl-N-[2-[2-(3-thiophen-3-ylphenoxy)ethoxy]ethyl]hepta-2,4-diyn-1-amine
CID 19917144
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
N-ethyl-6,6-dimethyl-N-[2-[2-(3-thiophen-3-ylphenoxy)ethoxy]ethyl]oct-2-en-4-yn-1-amine
CID 54281296
cyclopenta[c]thiopyran
CID 584139
3-(3-fluorophenyl)thiophene
CID 7010737
3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
CID 11108420
6,12,12-trimethyl-1-(3-thiophen-3-ylphenoxy)tridec-8-en-10-yn-5-ol
CID 54362824
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde?
The IUPAC name of 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde (CID 54097921) is 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde is O=CCOCCOc1cccc(-c2ccsc2)c1.
What is the InChIKey of 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde?
The InChIKey is MYLRTEXBHIUHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-5-6-16-7-8-17-14-3-1-2-12(10-14)13-4-9-18-11-13/h1-5,9-11H,6-8H2.
What are the key properties of 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde?
2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde has a molecular weight of 262.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-thiophen-3-ylphenoxy)ethoxy]acetaldehyde is sourced from PubChem (CID 54097921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).