2-(1-bromonaphthalen-2-yl)oxyacetate

C12H8BrO3- — CID 3563014

IUPAC2-(1-bromonaphthalen-2-yl)oxyacetate
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)/p-1
InChIKeyKKZQQUCWIZZKDD-UHFFFAOYSA-M
MW280.10 g/mol
LogP1.73
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)oxyacetate

2-(1-bromonaphthalen-2-yl)oxyacetate (PubChem CID 3563014) has the molecular formula C12H8BrO3- and a molecular weight of 280.10 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxyacetate.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxyacetate
PubChem CID3563014
Molecular FormulaC12H8BrO3-
Molecular Weight280.10 g/mol
Exact Mass278.97
IUPAC Name2-(1-bromonaphthalen-2-yl)oxyacetate
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)/p-1
InChIKeyKKZQQUCWIZZKDD-UHFFFAOYSA-M
XLogP1.73
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxyacetate?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxyacetate (CID 3563014) is 2-(1-bromonaphthalen-2-yl)oxyacetate.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxyacetate?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxyacetate is O=C([O-])COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxyacetate?
The InChIKey is KKZQQUCWIZZKDD-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxyacetate?
2-(1-bromonaphthalen-2-yl)oxyacetate has a molecular weight of 280.10 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxyacetate is sourced from PubChem (CID 3563014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).