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

C14H12O2S — CID 62199397

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12O2S/c15-13(7-10-4-6-17-9-10)11-1-2-14-12(8-11)3-5-16-14/h1-2,4,6,8-9H,3,5,7H2
InChIKeySPRQSJJUKAAZID-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.11
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone (PubChem CID 62199397) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
PubChem CID62199397
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12O2S/c15-13(7-10-4-6-17-9-10)11-1-2-14-12(8-11)3-5-16-14/h1-2,4,6,8-9H,3,5,7H2
InChIKeySPRQSJJUKAAZID-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972208
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-thiophen-3-ylacetamide
CID 119041803
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 61027612
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone (CID 62199397) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone?
The InChIKey is SPRQSJJUKAAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-13(7-10-4-6-17-9-10)11-1-2-14-12(8-11)3-5-16-14/h1-2,4,6,8-9H,3,5,7H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone has a molecular weight of 244.31 g/mol, XLogP of 3.11, 3 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)-2-thiophen-3-ylethanone is sourced from PubChem (CID 62199397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).