2-(1-bromonaphthalen-2-yl)oxyacetic acid

C12H9BrO3 — CID 708235

IUPAC2-(1-bromonaphthalen-2-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C12H9BrO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7H2,(H,14,15)
InChIKeyKKZQQUCWIZZKDD-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.07
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)oxyacetic acid

2-(1-bromonaphthalen-2-yl)oxyacetic acid (PubChem CID 708235) has the molecular formula C12H9BrO3 and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxyacetic acid
PubChem CID708235
Molecular FormulaC12H9BrO3
Molecular Weight281.11 g/mol
Exact Mass279.97
IUPAC Name2-(1-bromonaphthalen-2-yl)oxyacetic acid
SMILESO=C(O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C12H9BrO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7H2,(H,14,15)
InChIKeyKKZQQUCWIZZKDD-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxyacetic acid?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxyacetic acid (CID 708235) is 2-(1-bromonaphthalen-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxyacetic acid?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxyacetic acid is O=C(O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxyacetic acid?
The InChIKey is KKZQQUCWIZZKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7H2,(H,14,15).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxyacetic acid?
2-(1-bromonaphthalen-2-yl)oxyacetic acid has a molecular weight of 281.11 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxyacetic acid is sourced from PubChem (CID 708235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).