4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol

C15H11ClF2O2S — CID 58445328

IUPAC4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(F)ccc(F)c2C1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2O2S/c16-8-1-3-9(4-2-8)21-15-12(19)7-20-14-11(18)6-5-10(17)13(14)15/h1-6,12,15,19H,7H2
InChIKeyXYALFOHXBMXTOG-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.20
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol

4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol (PubChem CID 58445328) has the molecular formula C15H11ClF2O2S and a molecular weight of 328.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol
PubChem CID58445328
Molecular FormulaC15H11ClF2O2S
Molecular Weight328.77 g/mol
Exact Mass328.01
IUPAC Name4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(F)ccc(F)c2C1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2O2S/c16-8-1-3-9(4-2-8)21-15-12(19)7-20-14-11(18)6-5-10(17)13(14)15/h1-6,12,15,19H,7H2
InChIKeyXYALFOHXBMXTOG-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol (CID 58445328) is 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol is OC1COc2c(F)ccc(F)c2C1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is XYALFOHXBMXTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2S/c16-8-1-3-9(4-2-8)21-15-12(19)7-20-14-11(18)6-5-10(17)13(14)15/h1-6,12,15,19H,7H2.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol?
4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 328.77 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 58445328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).