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

C9H9BrO — CID 13301601

IUPAC5-bromo-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H9BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3
InChIKeyFEPPMMHYULGHKP-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.77
Rot. Bonds

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

5-bromo-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 13301601) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 5-bromo-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID13301601
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name5-bromo-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(Br)ccc2O1
InChIInChI=1S/C9H9BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3
InChIKeyFEPPMMHYULGHKP-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-2-methyl-2,3-dihydro-1-benzofuran (CID 13301601) is 5-bromo-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-2-methyl-2,3-dihydro-1-benzofuran is CC1Cc2cc(Br)ccc2O1.
What is the InChIKey of 5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is FEPPMMHYULGHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-bromo-2-methyl-2,3-dihydro-1-benzofuran?
5-bromo-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 213.07 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 13301601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).