1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol

C15H14BrFOS — CID 66071037

IUPAC1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(F)c1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H14BrFOS/c16-12-6-4-11(5-7-12)8-14(18)10-19-15-3-1-2-13(17)9-15/h1-7,9,14,18H,8,10H2
InChIKeyQHAQNSPQUJIBHK-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol

1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66071037) has the molecular formula C15H14BrFOS and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66071037
Molecular FormulaC15H14BrFOS
Molecular Weight341.25 g/mol
Exact Mass339.99
IUPAC Name1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1cccc(F)c1)Cc1ccc(Br)cc1
InChIInChI=1S/C15H14BrFOS/c16-12-6-4-11(5-7-12)8-14(18)10-19-15-3-1-2-13(17)9-15/h1-7,9,14,18H,8,10H2
InChIKeyQHAQNSPQUJIBHK-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol (CID 66071037) is 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is OC(CSc1cccc(F)c1)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is QHAQNSPQUJIBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFOS/c16-12-6-4-11(5-7-12)8-14(18)10-19-15-3-1-2-13(17)9-15/h1-7,9,14,18H,8,10H2.
What are the key properties of 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol?
1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 341.25 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66071037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).