2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene

C17H11Br3O2S — CID 15924332

IUPAC2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene
SMILESBrc1cccc(Oc2ccc(OCc3csc(Br)c3Br)cc2)c1
InChIInChI=1S/C17H11Br3O2S/c18-12-2-1-3-15(8-12)22-14-6-4-13(5-7-14)21-9-11-10-23-17(20)16(11)19/h1-8,10H,9H2
InChIKeyNJSAYMRUBWJASJ-UHFFFAOYSA-N
MW519.05 g/mol
LogP7.41
Rot. Bonds5

About 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene

2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene (PubChem CID 15924332) has the molecular formula C17H11Br3O2S and a molecular weight of 519.05 g/mol. Its IUPAC name is 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene
PubChem CID15924332
Molecular FormulaC17H11Br3O2S
Molecular Weight519.05 g/mol
Exact Mass515.80
IUPAC Name2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene
SMILESBrc1cccc(Oc2ccc(OCc3csc(Br)c3Br)cc2)c1
InChIInChI=1S/C17H11Br3O2S/c18-12-2-1-3-15(8-12)22-14-6-4-13(5-7-14)21-9-11-10-23-17(20)16(11)19/h1-8,10H,9H2
InChIKeyNJSAYMRUBWJASJ-UHFFFAOYSA-N
XLogP7.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.05
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464862
2-[4-(3-bromophenoxy)phenyl]-4-fluorobutan-2-ol
CID 54141082
1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene
CID 20520967
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521001
[4-(3-bromophenoxy)-2-pyridinyl]methanamine
CID 62322517
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene?
The IUPAC name of 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene (CID 15924332) is 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene.
What is the SMILES notation for 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene?
The canonical SMILES for 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene is Brc1cccc(Oc2ccc(OCc3csc(Br)c3Br)cc2)c1.
What is the InChIKey of 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene?
The InChIKey is NJSAYMRUBWJASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br3O2S/c18-12-2-1-3-15(8-12)22-14-6-4-13(5-7-14)21-9-11-10-23-17(20)16(11)19/h1-8,10H,9H2.
What are the key properties of 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene?
2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene has a molecular weight of 519.05 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-[[4-(3-bromophenoxy)phenoxy]methyl]thiophene is sourced from PubChem (CID 15924332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).