[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol

C16H14F2OS — CID 63812811

IUPAC[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Sc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C16H14F2OS/c17-14-6-10(9-19)7-15(18)16(14)20-13-5-4-11-2-1-3-12(11)8-13/h4-8,19H,1-3,9H2
InChIKeyBJDYGPVJNJRDFJ-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.10
Rot. Bonds3

About [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol

[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol (PubChem CID 63812811) has the molecular formula C16H14F2OS and a molecular weight of 292.35 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol
PubChem CID63812811
Molecular FormulaC16H14F2OS
Molecular Weight292.35 g/mol
Exact Mass292.07
IUPAC Name[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Sc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C16H14F2OS/c17-14-6-10(9-19)7-15(18)16(14)20-13-5-4-11-2-1-3-12(11)8-13/h4-8,19H,1-3,9H2
InChIKeyBJDYGPVJNJRDFJ-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol (CID 63812811) is [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol is OCc1cc(F)c(Sc2ccc3c(c2)CCC3)c(F)c1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol?
The InChIKey is BJDYGPVJNJRDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2OS/c17-14-6-10(9-19)7-15(18)16(14)20-13-5-4-11-2-1-3-12(11)8-13/h4-8,19H,1-3,9H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol?
[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol has a molecular weight of 292.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63812811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).