4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene

C13H10BrFOS — CID 69009366

IUPAC4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene
SMILESCOc1cc(Br)ccc1Sc1cccc(F)c1
InChIInChI=1S/C13H10BrFOS/c1-16-12-7-9(14)5-6-13(12)17-11-4-2-3-10(15)8-11/h2-8H,1H3
InChIKeyFBJIFOUXQFVIEA-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.75
Rot. Bonds3

About 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene

4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene (PubChem CID 69009366) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene.

Molecular Properties

Compound Name4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene
PubChem CID69009366
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene
SMILESCOc1cc(Br)ccc1Sc1cccc(F)c1
InChIInChI=1S/C13H10BrFOS/c1-16-12-7-9(14)5-6-13(12)17-11-4-2-3-10(15)8-11/h2-8H,1H3
InChIKeyFBJIFOUXQFVIEA-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene?
The IUPAC name of 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene (CID 69009366) is 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene.
What is the SMILES notation for 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene?
The canonical SMILES for 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene is COc1cc(Br)ccc1Sc1cccc(F)c1.
What is the InChIKey of 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene?
The InChIKey is FBJIFOUXQFVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-16-12-7-9(14)5-6-13(12)17-11-4-2-3-10(15)8-11/h2-8H,1H3.
What are the key properties of 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene?
4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene has a molecular weight of 313.19 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-fluorophenyl)sulfanyl-2-methoxybenzene is sourced from PubChem (CID 69009366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).