1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone

C14H22O4S — CID 103403816

IUPAC1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
SMILESCCc1ccc(C(=O)COCCCOCCOC)s1
InChIInChI=1S/C14H22O4S/c1-3-12-5-6-14(19-12)13(15)11-18-8-4-7-17-10-9-16-2/h5-6H,3-4,7-11H2,1-2H3
InChIKeyKVUWEPZXRDVVOZ-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.56
Rot. Bonds11

About 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone

1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone (PubChem CID 103403816) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
PubChem CID103403816
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
SMILESCCc1ccc(C(=O)COCCCOCCOC)s1
InChIInChI=1S/C14H22O4S/c1-3-12-5-6-14(19-12)13(15)11-18-8-4-7-17-10-9-16-2/h5-6H,3-4,7-11H2,1-2H3
InChIKeyKVUWEPZXRDVVOZ-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
1-(3-bromothiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403696
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
1-(5-ethylthiophen-2-yl)-2-(oxolan-3-yloxy)ethanone
CID 63558654
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 24671197

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone (CID 103403816) is 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone is CCc1ccc(C(=O)COCCCOCCOC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone?
The InChIKey is KVUWEPZXRDVVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S/c1-3-12-5-6-14(19-12)13(15)11-18-8-4-7-17-10-9-16-2/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone?
1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone has a molecular weight of 286.39 g/mol, XLogP of 2.56, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone is sourced from PubChem (CID 103403816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).