2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide

C15H10BrFO2S — CID 123505543

IUPAC2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide
SMILESCOc1ccc2c(c1)S(=O)C(Br)=C2c1ccc(F)cc1
InChIInChI=1S/C15H10BrFO2S/c1-19-11-6-7-12-13(8-11)20(18)15(16)14(12)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyAUCRAUYTZVHLIB-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.07
Rot. Bonds2

About 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide

2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide (PubChem CID 123505543) has the molecular formula C15H10BrFO2S and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide.

Molecular Properties

Compound Name2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide
PubChem CID123505543
Molecular FormulaC15H10BrFO2S
Molecular Weight353.21 g/mol
Exact Mass351.96
IUPAC Name2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide
SMILESCOc1ccc2c(c1)S(=O)C(Br)=C2c1ccc(F)cc1
InChIInChI=1S/C15H10BrFO2S/c1-19-11-6-7-12-13(8-11)20(18)15(16)14(12)9-2-4-10(17)5-3-9/h2-8H,1H3
InChIKeyAUCRAUYTZVHLIB-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide
CID 150441477
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine
CID 5305965
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
CID 86199579
2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
CID 132609514
3-[4-[2-(4-fluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]prop-2-enamide
CID 67592766

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide?
The IUPAC name of 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide (CID 123505543) is 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide.
What is the SMILES notation for 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide?
The canonical SMILES for 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide is COc1ccc2c(c1)S(=O)C(Br)=C2c1ccc(F)cc1.
What is the InChIKey of 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide?
The InChIKey is AUCRAUYTZVHLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO2S/c1-19-11-6-7-12-13(8-11)20(18)15(16)14(12)9-2-4-10(17)5-3-9/h2-8H,1H3.
What are the key properties of 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide?
2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide has a molecular weight of 353.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide is sourced from PubChem (CID 123505543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).