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

C15H13FO4S — CID 58668696

IUPAC7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)OCCC2O
InChIInChI=1S/C15H13FO4S/c16-10-2-1-3-11(8-10)21(18,19)12-4-5-13-14(17)6-7-20-15(13)9-12/h1-5,8-9,14,17H,6-7H2
InChIKeyWXRDJJHWYRDOGR-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.47
Rot. Bonds2

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

7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 58668696) has the molecular formula C15H13FO4S and a molecular weight of 308.33 g/mol. Its IUPAC name is 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID58668696
Molecular FormulaC15H13FO4S
Molecular Weight308.33 g/mol
Exact Mass308.05
IUPAC Name7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2c(c1)OCCC2O
InChIInChI=1S/C15H13FO4S/c16-10-2-1-3-11(8-10)21(18,19)12-4-5-13-14(17)6-7-20-15(13)9-12/h1-5,8-9,14,17H,6-7H2
InChIKeyWXRDJJHWYRDOGR-UHFFFAOYSA-N
XLogP2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol (CID 58668696) is 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol is O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)OCCC2O.
What is the InChIKey of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WXRDJJHWYRDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4S/c16-10-2-1-3-11(8-10)21(18,19)12-4-5-13-14(17)6-7-20-15(13)9-12/h1-5,8-9,14,17H,6-7H2.
What are the key properties of 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 308.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 58668696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).