2-phenoxyacetate

C8H7O3- — CID 4523333

IUPAC2-phenoxyacetate
SMILESO=C([O-])COc1ccccc1
InChIInChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
InChIKeyLCPDWSOZIOUXRV-UHFFFAOYSA-M
MW151.14 g/mol
LogP-0.18
Rot. Bonds3

About 2-phenoxyacetate

2-phenoxyacetate (PubChem CID 4523333) has the molecular formula C8H7O3- and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-phenoxyacetate.

Molecular Properties

Compound Name2-phenoxyacetate
PubChem CID4523333
Molecular FormulaC8H7O3-
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name2-phenoxyacetate
SMILESO=C([O-])COc1ccccc1
InChIInChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
InChIKeyLCPDWSOZIOUXRV-UHFFFAOYSA-M
XLogP-0.18
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyacetate?
The IUPAC name of 2-phenoxyacetate (CID 4523333) is 2-phenoxyacetate.
What is the SMILES notation for 2-phenoxyacetate?
The canonical SMILES for 2-phenoxyacetate is O=C([O-])COc1ccccc1.
What is the InChIKey of 2-phenoxyacetate?
The InChIKey is LCPDWSOZIOUXRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1.
What are the key properties of 2-phenoxyacetate?
2-phenoxyacetate has a molecular weight of 151.14 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyacetate is sourced from PubChem (CID 4523333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).