7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol

C15H13FO2S — CID 143248204

IUPAC7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CCOc2cc(Sc3cccc(F)c3)ccc21
InChIInChI=1S/C15H13FO2S/c16-10-2-1-3-11(8-10)19-12-4-5-13-14(17)6-7-18-15(13)9-12/h1-5,8-9,14,17H,6-7H2
InChIKeyFCHNDQDQEFXWNW-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.79
Rot. Bonds2

About 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol

7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 143248204) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID143248204
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CCOc2cc(Sc3cccc(F)c3)ccc21
InChIInChI=1S/C15H13FO2S/c16-10-2-1-3-11(8-10)19-12-4-5-13-14(17)6-7-18-15(13)9-12/h1-5,8-9,14,17H,6-7H2
InChIKeyFCHNDQDQEFXWNW-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol (CID 143248204) is 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol is OC1CCOc2cc(Sc3cccc(F)c3)ccc21.
What is the InChIKey of 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is FCHNDQDQEFXWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c16-10-2-1-3-11(8-10)19-12-4-5-13-14(17)6-7-18-15(13)9-12/h1-5,8-9,14,17H,6-7H2.
What are the key properties of 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol?
7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 143248204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).