1-benzofuran;bromobenzene

C14H11BrO — CID 160964237

IUPAC1-benzofuran;bromobenzene
SMILESBrc1ccccc1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C6H5Br/c1-2-4-8-7(3-1)5-6-9-8;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeySXKCDHDYLGKNKZ-UHFFFAOYSA-N
MW275.15 g/mol
LogP4.88
Rot. Bonds

About 1-benzofuran;bromobenzene

1-benzofuran;bromobenzene (PubChem CID 160964237) has the molecular formula C14H11BrO and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-benzofuran;bromobenzene.

Molecular Properties

Compound Name1-benzofuran;bromobenzene
PubChem CID160964237
Molecular FormulaC14H11BrO
Molecular Weight275.15 g/mol
Exact Mass274.00
IUPAC Name1-benzofuran;bromobenzene
SMILESBrc1ccccc1.c1ccc2occc2c1
InChIInChI=1S/C8H6O.C6H5Br/c1-2-4-8-7(3-1)5-6-9-8;7-6-4-2-1-3-5-6/h1-6H;1-5H
InChIKeySXKCDHDYLGKNKZ-UHFFFAOYSA-N
XLogP4.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;bromobenzene?
The IUPAC name of 1-benzofuran;bromobenzene (CID 160964237) is 1-benzofuran;bromobenzene.
What is the SMILES notation for 1-benzofuran;bromobenzene?
The canonical SMILES for 1-benzofuran;bromobenzene is Brc1ccccc1.c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran;bromobenzene?
The InChIKey is SXKCDHDYLGKNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C6H5Br/c1-2-4-8-7(3-1)5-6-9-8;7-6-4-2-1-3-5-6/h1-6H;1-5H.
What are the key properties of 1-benzofuran;bromobenzene?
1-benzofuran;bromobenzene has a molecular weight of 275.15 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;bromobenzene is sourced from PubChem (CID 160964237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).