2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran

C11H12BrClO — CID 82019049

IUPAC2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(C)c1Cl)CC(CBr)O2
InChIInChI=1S/C11H12BrClO/c1-6-3-10-9(7(2)11(6)13)4-8(5-12)14-10/h3,8H,4-5H2,1-2H3
InChIKeyYJEQAMIYDVVIRA-UHFFFAOYSA-N
MW275.57 g/mol
LogP3.66
Rot. Bonds1

About 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran

2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 82019049) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID82019049
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(C)c1Cl)CC(CBr)O2
InChIInChI=1S/C11H12BrClO/c1-6-3-10-9(7(2)11(6)13)4-8(5-12)14-10/h3,8H,4-5H2,1-2H3
InChIKeyYJEQAMIYDVVIRA-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran (CID 82019049) is 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran is Cc1cc2c(c(C)c1Cl)CC(CBr)O2.
What is the InChIKey of 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is YJEQAMIYDVVIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-6-3-10-9(7(2)11(6)13)4-8(5-12)14-10/h3,8H,4-5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran?
2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 275.57 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-chloro-4,6-dimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 82019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).