4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide

C18H17FO3S — CID 67374964

IUPAC4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCC(C2CC2)c2ccc(Oc3ccc(F)cc3)cc21
InChIInChI=1S/C18H17FO3S/c19-13-3-5-14(6-4-13)22-15-7-8-17-16(12-1-2-12)9-10-23(20,21)18(17)11-15/h3-8,11-12,16H,1-2,9-10H2
InChIKeyBXXAPQCUACMXEF-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.29
Rot. Bonds3

About 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide

4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 67374964) has the molecular formula C18H17FO3S and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID67374964
Molecular FormulaC18H17FO3S
Molecular Weight332.40 g/mol
Exact Mass332.09
IUPAC Name4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCC(C2CC2)c2ccc(Oc3ccc(F)cc3)cc21
InChIInChI=1S/C18H17FO3S/c19-13-3-5-14(6-4-13)22-15-7-8-17-16(12-1-2-12)9-10-23(20,21)18(17)11-15/h3-8,11-12,16H,1-2,9-10H2
InChIKeyBXXAPQCUACMXEF-UHFFFAOYSA-N
XLogP4.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 67374964) is 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide is O=S1(=O)CCC(C2CC2)c2ccc(Oc3ccc(F)cc3)cc21.
What is the InChIKey of 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is BXXAPQCUACMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3S/c19-13-3-5-14(6-4-13)22-15-7-8-17-16(12-1-2-12)9-10-23(20,21)18(17)11-15/h3-8,11-12,16H,1-2,9-10H2.
What are the key properties of 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 332.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-(4-fluorophenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 67374964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).