5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one

C15H14O2S — CID 102670879

IUPAC5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCCc3ccsc3)ccc21
InChIInChI=1S/C15H14O2S/c16-15-4-1-12-9-13(2-3-14(12)15)17-7-5-11-6-8-18-10-11/h2-3,6,8-10H,1,4-5,7H2
InChIKeyXIZUQQSCPURQFP-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.50
Rot. Bonds4

About 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one

5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one (PubChem CID 102670879) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one
PubChem CID102670879
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(OCCc3ccsc3)ccc21
InChIInChI=1S/C15H14O2S/c16-15-4-1-12-9-13(2-3-14(12)15)17-7-5-11-6-8-18-10-11/h2-3,6,8-10H,1,4-5,7H2
InChIKeyXIZUQQSCPURQFP-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-pent-4-enoxy-2,3-dihydroinden-1-one
CID 104986130
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
1-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethyl]imidazolidin-2-one
CID 107684155
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
CID 64763301
6-(3-fluoropropoxy)-2,3-dihydroinden-1-one
CID 67979471
2-chloro-4-(2-thiophen-3-ylethoxy)benzonitrile
CID 102674720
5-[(3-nitrophenyl)methoxy]-2,3-dihydroinden-1-one
CID 104982102

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one (CID 102670879) is 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one is O=C1CCc2cc(OCCc3ccsc3)ccc21.
What is the InChIKey of 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one?
The InChIKey is XIZUQQSCPURQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-15-4-1-12-9-13(2-3-14(12)15)17-7-5-11-6-8-18-10-11/h2-3,6,8-10H,1,4-5,7H2.
What are the key properties of 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one?
5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one has a molecular weight of 258.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-3-ylethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 102670879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).