2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C15H15FO2S — CID 114714166

IUPAC2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C2CC(O)c3cc(F)ccc3O2)c(C)s1
InChIInChI=1S/C15H15FO2S/c1-8-5-11(9(2)19-8)15-7-13(17)12-6-10(16)3-4-14(12)18-15/h3-6,13,15,17H,7H2,1-2H3
InChIKeyNIFNCDDEFZUMEC-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.06
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714166) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714166
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C2CC(O)c3cc(F)ccc3O2)c(C)s1
InChIInChI=1S/C15H15FO2S/c1-8-5-11(9(2)19-8)15-7-13(17)12-6-10(16)3-4-14(12)18-15/h3-6,13,15,17H,7H2,1-2H3
InChIKeyNIFNCDDEFZUMEC-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114714166) is 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is Cc1cc(C2CC(O)c3cc(F)ccc3O2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is NIFNCDDEFZUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2S/c1-8-5-11(9(2)19-8)15-7-13(17)12-6-10(16)3-4-14(12)18-15/h3-6,13,15,17H,7H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 278.35 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).