1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol

C15H13Cl2FOS — CID 103048265

IUPAC1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl2FOS/c16-11-1-4-14(5-2-11)20-9-13(19)8-10-7-12(17)3-6-15(10)18/h1-7,13,19H,8-9H2
InChIKeyIPKCWTGASFVYPX-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.83
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol

1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol (PubChem CID 103048265) has the molecular formula C15H13Cl2FOS and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
PubChem CID103048265
Molecular FormulaC15H13Cl2FOS
Molecular Weight331.24 g/mol
Exact Mass330.00
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl2FOS/c16-11-1-4-14(5-2-11)20-9-13(19)8-10-7-12(17)3-6-15(10)18/h1-7,13,19H,8-9H2
InChIKeyIPKCWTGASFVYPX-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol (CID 103048265) is 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol is OC(CSc1ccc(Cl)cc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The InChIKey is IPKCWTGASFVYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FOS/c16-11-1-4-14(5-2-11)20-9-13(19)8-10-7-12(17)3-6-15(10)18/h1-7,13,19H,8-9H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol?
1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol has a molecular weight of 331.24 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 103048265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).