1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one

C15H14O2S — CID 114972208

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14O2S/c16-14(3-1-11-6-8-18-10-11)12-2-4-15-13(9-12)5-7-17-15/h2,4,6,8-10H,1,3,5,7H2
InChIKeyPKPUNZPOUXSSQS-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.50
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114972208) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID114972208
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H14O2S/c16-14(3-1-11-6-8-18-10-11)12-2-4-15-13(9-12)5-7-17-15/h2,4,6,8-10H,1,3,5,7H2
InChIKeyPKPUNZPOUXSSQS-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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
CID 62199397
1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972119
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
CID 116613033
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-thiophen-3-ylacetamide
CID 119041803
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-3-yl)propan-1-one
CID 65444924
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one (CID 114972208) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is PKPUNZPOUXSSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-14(3-1-11-6-8-18-10-11)12-2-4-15-13(9-12)5-7-17-15/h2,4,6,8-10H,1,3,5,7H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-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 1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114972208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).