1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol

C15H14ClFOS — CID 146163388

IUPAC1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(CSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFOS/c1-15(18,11-2-6-13(17)7-3-11)10-19-14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3
InChIKeyKONADIAREFWMFU-UHFFFAOYSA-N
MW296.79 g/mol
LogP4.48
Rot. Bonds4

About 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol

1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol (PubChem CID 146163388) has the molecular formula C15H14ClFOS and a molecular weight of 296.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol
PubChem CID146163388
Molecular FormulaC15H14ClFOS
Molecular Weight296.79 g/mol
Exact Mass296.04
IUPAC Name1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(CSc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClFOS/c1-15(18,11-2-6-13(17)7-3-11)10-19-14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3
InChIKeyKONADIAREFWMFU-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol (CID 146163388) is 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol is CC(O)(CSc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol?
The InChIKey is KONADIAREFWMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFOS/c1-15(18,11-2-6-13(17)7-3-11)10-19-14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol?
1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol has a molecular weight of 296.79 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 146163388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).