(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol

C13H12O2S — CID 92935771

IUPAC(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1C[C@@H](c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H12O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,10,12,14H,8H2/t10-,12-/m0/s1
InChIKeyGLYJKQPNTAQVDC-JQWIXIFHSA-N
MW232.30 g/mol
LogP3.31
Rot. Bonds1

About (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol

(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 92935771) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID92935771
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1C[C@@H](c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H12O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,10,12,14H,8H2/t10-,12-/m0/s1
InChIKeyGLYJKQPNTAQVDC-JQWIXIFHSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 92935771) is (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol is O[C@H]1C[C@@H](c2cccs2)Oc2ccccc21.
What is the InChIKey of (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is GLYJKQPNTAQVDC-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H12O2S/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,10,12,14H,8H2/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol?
(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 232.30 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 92935771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).