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

C10H11BrO — CID 23113979

IUPAC5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(C)c1Br)CCO2
InChIInChI=1S/C10H11BrO/c1-6-5-9-8(3-4-12-9)7(2)10(6)11/h5H,3-4H2,1-2H3
InChIKeyDZQZGBYJABNTRU-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.00
Rot. Bonds

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

5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 23113979) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID23113979
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(C)c1Br)CCO2
InChIInChI=1S/C10H11BrO/c1-6-5-9-8(3-4-12-9)7(2)10(6)11/h5H,3-4H2,1-2H3
InChIKeyDZQZGBYJABNTRU-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran (CID 23113979) is 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran is Cc1cc2c(c(C)c1Br)CCO2.
What is the InChIKey of 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is DZQZGBYJABNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-6-5-9-8(3-4-12-9)7(2)10(6)11/h5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran?
5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 227.10 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 23113979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).