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

C15H14O2S — CID 114972119

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H14O2S/c16-15(4-1-11-5-6-18-10-11)12-2-3-13-8-17-9-14(13)7-12/h2-3,5-7,10H,1,4,8-9H2
InChIKeyMDKGUMLZRPRCOS-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.59
Rot. Bonds4

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

1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114972119) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID114972119
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H14O2S/c16-15(4-1-11-5-6-18-10-11)12-2-3-13-8-17-9-14(13)7-12/h2-3,5-7,10H,1,4,8-9H2
InChIKeyMDKGUMLZRPRCOS-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
CID 116613033
1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972208
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methylpent-4-en-1-one
CID 115802815
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
2-amino-1-(1,3-dihydro-2-benzofuran-5-yl)ethanone
CID 65180261
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-iodophenyl)ethanone
CID 114974112
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-fluorophenyl)ethanone
CID 63019690
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 63019334
1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
CID 62199397

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one (CID 114972119) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is MDKGUMLZRPRCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-15(4-1-11-5-6-18-10-11)12-2-3-13-8-17-9-14(13)7-12/h2-3,5-7,10H,1,4,8-9H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 258.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114972119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).