3-bromo-4-(4-methoxyphenoxy)thiophene

C11H9BrO2S — CID 173291895

IUPAC3-bromo-4-(4-methoxyphenoxy)thiophene
SMILESCOc1ccc(Oc2cscc2Br)cc1
InChIInChI=1S/C11H9BrO2S/c1-13-8-2-4-9(5-3-8)14-11-7-15-6-10(11)12/h2-7H,1H3
InChIKeyRZRSKIZTNSOYJN-UHFFFAOYSA-N
MW285.16 g/mol
LogP4.31
Rot. Bonds3

About 3-bromo-4-(4-methoxyphenoxy)thiophene

3-bromo-4-(4-methoxyphenoxy)thiophene (PubChem CID 173291895) has the molecular formula C11H9BrO2S and a molecular weight of 285.16 g/mol. Its IUPAC name is 3-bromo-4-(4-methoxyphenoxy)thiophene.

Molecular Properties

Compound Name3-bromo-4-(4-methoxyphenoxy)thiophene
PubChem CID173291895
Molecular FormulaC11H9BrO2S
Molecular Weight285.16 g/mol
Exact Mass283.95
IUPAC Name3-bromo-4-(4-methoxyphenoxy)thiophene
SMILESCOc1ccc(Oc2cscc2Br)cc1
InChIInChI=1S/C11H9BrO2S/c1-13-8-2-4-9(5-3-8)14-11-7-15-6-10(11)12/h2-7H,1H3
InChIKeyRZRSKIZTNSOYJN-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(4-methoxyphenyl)methoxy]thiophene
CID 152568718
(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
CID 79595197
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2,4-dibromo-5-(4-methoxyphenoxy)pyridine
CID 155234507
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
1-bromo-4-chloro-2-fluoro-5-(4-methoxyphenoxy)benzene
CID 90434539
3,4-bis(4-methoxyphenoxy)phenol
CID 139941919
methane;4-methoxyphenol
CID 159494332
(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone
CID 105116061
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
2-(4-methoxyphenoxy)phenol
CID 54145402
1-[5-bromo-2-(4-methoxyphenoxy)phenyl]-N-(1-trimethylsilyloxyethenyl)methanimine
CID 66641553

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methoxyphenoxy)thiophene?
The IUPAC name of 3-bromo-4-(4-methoxyphenoxy)thiophene (CID 173291895) is 3-bromo-4-(4-methoxyphenoxy)thiophene.
What is the SMILES notation for 3-bromo-4-(4-methoxyphenoxy)thiophene?
The canonical SMILES for 3-bromo-4-(4-methoxyphenoxy)thiophene is COc1ccc(Oc2cscc2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-methoxyphenoxy)thiophene?
The InChIKey is RZRSKIZTNSOYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2S/c1-13-8-2-4-9(5-3-8)14-11-7-15-6-10(11)12/h2-7H,1H3.
What are the key properties of 3-bromo-4-(4-methoxyphenoxy)thiophene?
3-bromo-4-(4-methoxyphenoxy)thiophene has a molecular weight of 285.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methoxyphenoxy)thiophene is sourced from PubChem (CID 173291895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).