5-bromo-1,3-dihydro-2-benzofuran

C8H7BrO — CID 52988095

IUPAC5-bromo-1,3-dihydro-2-benzofuran
SMILESBrc1ccc2c(c1)COC2
InChIInChI=1S/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2
InChIKeyNZZWXNMQOCNDKD-UHFFFAOYSA-N
MW199.05 g/mol
LogP2.48
Rot. Bonds

About 5-bromo-1,3-dihydro-2-benzofuran

5-bromo-1,3-dihydro-2-benzofuran (PubChem CID 52988095) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is 5-bromo-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-bromo-1,3-dihydro-2-benzofuran
PubChem CID52988095
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name5-bromo-1,3-dihydro-2-benzofuran
SMILESBrc1ccc2c(c1)COC2
InChIInChI=1S/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2
InChIKeyNZZWXNMQOCNDKD-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-bromo-1,3-dihydro-2-benzofuran (CID 52988095) is 5-bromo-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-bromo-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-bromo-1,3-dihydro-2-benzofuran is Brc1ccc2c(c1)COC2.
What is the InChIKey of 5-bromo-1,3-dihydro-2-benzofuran?
The InChIKey is NZZWXNMQOCNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5H2.
What are the key properties of 5-bromo-1,3-dihydro-2-benzofuran?
5-bromo-1,3-dihydro-2-benzofuran has a molecular weight of 199.05 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 52988095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).