3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide

C11H11BrO3S — CID 165494558

IUPAC3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C11H11BrO3S/c12-10-3-1-9(2-4-10)7-15-11-5-6-16(13,14)8-11/h1-6,11H,7-8H2
InChIKeyIVYMWPXMFNNVAT-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.28
Rot. Bonds3

About 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide

3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 165494558) has the molecular formula C11H11BrO3S and a molecular weight of 303.18 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
PubChem CID165494558
Molecular FormulaC11H11BrO3S
Molecular Weight303.18 g/mol
Exact Mass301.96
IUPAC Name3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=CC(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C11H11BrO3S/c12-10-3-1-9(2-4-10)7-15-11-5-6-16(13,14)8-11/h1-6,11H,7-8H2
InChIKeyIVYMWPXMFNNVAT-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide (CID 165494558) is 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=CC(OCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is IVYMWPXMFNNVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3S/c12-10-3-1-9(2-4-10)7-15-11-5-6-16(13,14)8-11/h1-6,11H,7-8H2.
What are the key properties of 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide?
3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 303.18 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 165494558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).