1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one

C16H16O2S — CID 105127699

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CC1CCOc2ccccc21
InChIInChI=1S/C16H16O2S/c17-14(9-12-6-8-19-11-12)10-13-5-7-18-16-4-2-1-3-15(13)16/h1-4,6,8,11,13H,5,7,9-10H2
InChIKeySFNQABUZOOAKLV-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.82
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one

1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one (PubChem CID 105127699) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one
PubChem CID105127699
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)CC1CCOc2ccccc21
InChIInChI=1S/C16H16O2S/c17-14(9-12-6-8-19-11-12)10-13-5-7-18-16-4-2-1-3-15(13)16/h1-4,6,8,11,13H,5,7,9-10H2
InChIKeySFNQABUZOOAKLV-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one (CID 105127699) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is SFNQABUZOOAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c17-14(9-12-6-8-19-11-12)10-13-5-7-18-16-4-2-1-3-15(13)16/h1-4,6,8,11,13H,5,7,9-10H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 272.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 105127699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).