2-(5-bromo-1-benzofuran-7-yl)acetic acid

C10H7BrO3 — CID 83900977

IUPAC2-(5-bromo-1-benzofuran-7-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc2ccoc12
InChIInChI=1S/C10H7BrO3/c11-8-3-6-1-2-14-10(6)7(4-8)5-9(12)13/h1-4H,5H2,(H,12,13)
InChIKeyHYRLTXSZIXOQSQ-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.82
Rot. Bonds2

About 2-(5-bromo-1-benzofuran-7-yl)acetic acid

2-(5-bromo-1-benzofuran-7-yl)acetic acid (PubChem CID 83900977) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-7-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-7-yl)acetic acid
PubChem CID83900977
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name2-(5-bromo-1-benzofuran-7-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc2ccoc12
InChIInChI=1S/C10H7BrO3/c11-8-3-6-1-2-14-10(6)7(4-8)5-9(12)13/h1-4H,5H2,(H,12,13)
InChIKeyHYRLTXSZIXOQSQ-UHFFFAOYSA-N
XLogP2.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-7-yl)acetic acid?
The IUPAC name of 2-(5-bromo-1-benzofuran-7-yl)acetic acid (CID 83900977) is 2-(5-bromo-1-benzofuran-7-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-7-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-1-benzofuran-7-yl)acetic acid is O=C(O)Cc1cc(Br)cc2ccoc12.
What is the InChIKey of 2-(5-bromo-1-benzofuran-7-yl)acetic acid?
The InChIKey is HYRLTXSZIXOQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c11-8-3-6-1-2-14-10(6)7(4-8)5-9(12)13/h1-4H,5H2,(H,12,13).
What are the key properties of 2-(5-bromo-1-benzofuran-7-yl)acetic acid?
2-(5-bromo-1-benzofuran-7-yl)acetic acid has a molecular weight of 255.07 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-7-yl)acetic acid is sourced from PubChem (CID 83900977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).