2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone

C14H14O3S — CID 43798587

IUPAC2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone
SMILESO=C(COCCOc1ccccc1)c1cccs1
InChIInChI=1S/C14H14O3S/c15-13(14-7-4-10-18-14)11-16-8-9-17-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2
InChIKeyKLKDDCPQSSWDMN-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.03
Rot. Bonds7

About 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone

2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone (PubChem CID 43798587) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone
PubChem CID43798587
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone
SMILESO=C(COCCOc1ccccc1)c1cccs1
InChIInChI=1S/C14H14O3S/c15-13(14-7-4-10-18-14)11-16-8-9-17-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2
InChIKeyKLKDDCPQSSWDMN-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
(2-oxo-2-thiophen-2-ylethyl) 2-(2-phenoxyethoxy)benzoate
CID 2549435
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
2-naphthalen-2-yloxy-1-thiophen-2-ylethanone
CID 43413543
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
1-(2,5-dibromothiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798615
N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-2-(2-phenoxyethoxy)acetamide
CID 51966867

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone (CID 43798587) is 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone is O=C(COCCOc1ccccc1)c1cccs1.
What is the InChIKey of 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone?
The InChIKey is KLKDDCPQSSWDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-13(14-7-4-10-18-14)11-16-8-9-17-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2.
What are the key properties of 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone?
2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone has a molecular weight of 262.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-1-thiophen-2-ylethanone is sourced from PubChem (CID 43798587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).