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

C15H13FOS — CID 144987048

IUPAC7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene
SMILESFc1ccc(Sc2ccc3c(c2)OCCC3)cc1
InChIInChI=1S/C15H13FOS/c16-12-4-7-13(8-5-12)18-14-6-3-11-2-1-9-17-15(11)10-14/h3-8,10H,1-2,9H2
InChIKeyCLMGGFHDBFOQFJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP4.30
Rot. Bonds2

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

7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene (PubChem CID 144987048) has the molecular formula C15H13FOS and a molecular weight of 260.33 g/mol. Its IUPAC name is 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene
PubChem CID144987048
Molecular FormulaC15H13FOS
Molecular Weight260.33 g/mol
Exact Mass260.07
IUPAC Name7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene
SMILESFc1ccc(Sc2ccc3c(c2)OCCC3)cc1
InChIInChI=1S/C15H13FOS/c16-12-4-7-13(8-5-12)18-14-6-3-11-2-1-9-17-15(11)10-14/h3-8,10H,1-2,9H2
InChIKeyCLMGGFHDBFOQFJ-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene (CID 144987048) is 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene is Fc1ccc(Sc2ccc3c(c2)OCCC3)cc1.
What is the InChIKey of 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is CLMGGFHDBFOQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FOS/c16-12-4-7-13(8-5-12)18-14-6-3-11-2-1-9-17-15(11)10-14/h3-8,10H,1-2,9H2.
What are the key properties of 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene?
7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 260.33 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)sulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 144987048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).