2-thiophen-2-yl-2,3-dihydrochromen-4-one

C13H10O2S — CID 12931315

IUPAC2-thiophen-2-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H10O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,12H,8H2
InChIKeyAJKTVPQEJVDECJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds1

About 2-thiophen-2-yl-2,3-dihydrochromen-4-one

2-thiophen-2-yl-2,3-dihydrochromen-4-one (PubChem CID 12931315) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-2,3-dihydrochromen-4-one
PubChem CID12931315
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name2-thiophen-2-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H10O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,12H,8H2
InChIKeyAJKTVPQEJVDECJ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-thiophen-2-yl-2,3-dihydrochromen-4-one (CID 12931315) is 2-thiophen-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-thiophen-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-thiophen-2-yl-2,3-dihydrochromen-4-one is O=C1CC(c2cccs2)Oc2ccccc21.
What is the InChIKey of 2-thiophen-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is AJKTVPQEJVDECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,12H,8H2.
What are the key properties of 2-thiophen-2-yl-2,3-dihydrochromen-4-one?
2-thiophen-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 230.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12931315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).