5-bromo-6-chloro-2,3-dihydro-1-benzofuran

C8H6BrClO — CID 58487295

IUPAC5-bromo-6-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(cc1Br)CCO2
InChIInChI=1S/C8H6BrClO/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4H,1-2H2
InChIKeyOZYJDXKIXMQKFF-UHFFFAOYSA-N
MW233.49 g/mol
LogP3.04
Rot. Bonds

About 5-bromo-6-chloro-2,3-dihydro-1-benzofuran

5-bromo-6-chloro-2,3-dihydro-1-benzofuran (PubChem CID 58487295) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 5-bromo-6-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-6-chloro-2,3-dihydro-1-benzofuran
PubChem CID58487295
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name5-bromo-6-chloro-2,3-dihydro-1-benzofuran
SMILESClc1cc2c(cc1Br)CCO2
InChIInChI=1S/C8H6BrClO/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4H,1-2H2
InChIKeyOZYJDXKIXMQKFF-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-6-chloro-2,3-dihydro-1-benzofuran (CID 58487295) is 5-bromo-6-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-6-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-6-chloro-2,3-dihydro-1-benzofuran is Clc1cc2c(cc1Br)CCO2.
What is the InChIKey of 5-bromo-6-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is OZYJDXKIXMQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c9-6-3-5-1-2-11-8(5)4-7(6)10/h3-4H,1-2H2.
What are the key properties of 5-bromo-6-chloro-2,3-dihydro-1-benzofuran?
5-bromo-6-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 233.49 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 58487295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).