5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran

C11H13BrO — CID 23114193

IUPAC5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(C)c1Br)CC(C)O2
InChIInChI=1S/C11H13BrO/c1-6-4-10-9(5-7(2)13-10)8(3)11(6)12/h4,7H,5H2,1-3H3
InChIKeyLXGXNNDCIMSFMJ-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.39
Rot. Bonds

About 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran

5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran (PubChem CID 23114193) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran
PubChem CID23114193
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(C)c1Br)CC(C)O2
InChIInChI=1S/C11H13BrO/c1-6-4-10-9(5-7(2)13-10)8(3)11(6)12/h4,7H,5H2,1-3H3
InChIKeyLXGXNNDCIMSFMJ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran (CID 23114193) is 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran is Cc1cc2c(c(C)c1Br)CC(C)O2.
What is the InChIKey of 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is LXGXNNDCIMSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-6-4-10-9(5-7(2)13-10)8(3)11(6)12/h4,7H,5H2,1-3H3.
What are the key properties of 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran?
5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 241.13 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4,6-trimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 23114193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).