1-bromothieno[2,3-b][1]benzofuran

C10H5BrOS — CID 156788125

IUPAC1-bromothieno[2,3-b][1]benzofuran
SMILESBrc1csc2oc3ccccc3c12
InChIInChI=1S/C10H5BrOS/c11-7-5-13-10-9(7)6-3-1-2-4-8(6)12-10/h1-5H
InChIKeyANMCJDVJFLFTAX-UHFFFAOYSA-N
MW253.12 g/mol
LogP4.41
Rot. Bonds

About 1-bromothieno[2,3-b][1]benzofuran

1-bromothieno[2,3-b][1]benzofuran (PubChem CID 156788125) has the molecular formula C10H5BrOS and a molecular weight of 253.12 g/mol. Its IUPAC name is 1-bromothieno[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-bromothieno[2,3-b][1]benzofuran
PubChem CID156788125
Molecular FormulaC10H5BrOS
Molecular Weight253.12 g/mol
Exact Mass251.92
IUPAC Name1-bromothieno[2,3-b][1]benzofuran
SMILESBrc1csc2oc3ccccc3c12
InChIInChI=1S/C10H5BrOS/c11-7-5-13-10-9(7)6-3-1-2-4-8(6)12-10/h1-5H
InChIKeyANMCJDVJFLFTAX-UHFFFAOYSA-N
XLogP4.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromodibenzothiophen-4-yl)dibenzofuran
CID 163710635
2-[2-(4-bromodibenzofuran-1-yl)phenyl]-1-phenylethanone
CID 158093414
2-bromo-1-phenyldibenzofuran
CID 138481410
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874
N-(2-bromodibenzofuran-1-yl)acetamide
CID 135334506
3-bromo-1,2-bis(ethenyl)dibenzofuran
CID 145377478
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
1-bromo-4-(4-iodophenyl)dibenzofuran
CID 155078128
1-(4-bromophenyl)-4-(4-chlorophenyl)dibenzofuran
CID 162517717

Frequently Asked Questions

What is the IUPAC name of 1-bromothieno[2,3-b][1]benzofuran?
The IUPAC name of 1-bromothieno[2,3-b][1]benzofuran (CID 156788125) is 1-bromothieno[2,3-b][1]benzofuran.
What is the SMILES notation for 1-bromothieno[2,3-b][1]benzofuran?
The canonical SMILES for 1-bromothieno[2,3-b][1]benzofuran is Brc1csc2oc3ccccc3c12.
What is the InChIKey of 1-bromothieno[2,3-b][1]benzofuran?
The InChIKey is ANMCJDVJFLFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrOS/c11-7-5-13-10-9(7)6-3-1-2-4-8(6)12-10/h1-5H.
What are the key properties of 1-bromothieno[2,3-b][1]benzofuran?
1-bromothieno[2,3-b][1]benzofuran has a molecular weight of 253.12 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromothieno[2,3-b][1]benzofuran is sourced from PubChem (CID 156788125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).