2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid

C11H11BrO3 — CID 83913658

IUPAC2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2cc(Br)ccc21
InChIInChI=1S/C11H11BrO3/c1-6(11(13)14)9-5-15-10-4-7(12)2-3-8(9)10/h2-4,6,9H,5H2,1H3,(H,13,14)
InChIKeyHMMMQUDROYAFGK-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.65
Rot. Bonds2

About 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid

2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid (PubChem CID 83913658) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
PubChem CID83913658
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2cc(Br)ccc21
InChIInChI=1S/C11H11BrO3/c1-6(11(13)14)9-5-15-10-4-7(12)2-3-8(9)10/h2-4,6,9H,5H2,1H3,(H,13,14)
InChIKeyHMMMQUDROYAFGK-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 83913657
2-(6-amino-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 68668209
2-[(3S)-6-[(7-bromo-2,3-dihydro-1-benzofuran-3-yl)amino]-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 67128913
methyl 6-bromo-2,3-dihydro-1-benzofuran-3-carboxylate
CID 146246442
2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117200227
8-bromo-5-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylic acid
CID 122440164
N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 165396334
3-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117201944
1-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82247422
3-[(5-bromo-2,3-dihydro-1-benzofuran-3-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 120535300
8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine
CID 177207289
6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran
CID 163396140

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The IUPAC name of 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid (CID 83913658) is 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid.
What is the SMILES notation for 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The canonical SMILES for 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid is CC(C(=O)O)C1COc2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
The InChIKey is HMMMQUDROYAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-6(11(13)14)9-5-15-10-4-7(12)2-3-8(9)10/h2-4,6,9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid?
2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid has a molecular weight of 271.11 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)propanoic acid is sourced from PubChem (CID 83913658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).