2-phenoxyacetic acid

C8H8O3 — CID 19188

IUPAC2-phenoxyacetic acid
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)
InChIKeyLCPDWSOZIOUXRV-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.15
Rot. Bonds3

About 2-phenoxyacetic acid

2-phenoxyacetic acid (PubChem CID 19188) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-phenoxyacetic acid.

Molecular Properties

Compound Name2-phenoxyacetic acid
PubChem CID19188
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-phenoxyacetic acid
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)
InChIKeyLCPDWSOZIOUXRV-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyacetic acid?
The IUPAC name of 2-phenoxyacetic acid (CID 19188) is 2-phenoxyacetic acid.
What is the SMILES notation for 2-phenoxyacetic acid?
The canonical SMILES for 2-phenoxyacetic acid is O=C(O)COc1ccccc1.
What is the InChIKey of 2-phenoxyacetic acid?
The InChIKey is LCPDWSOZIOUXRV-UHFFFAOYSA-N. 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).
What are the key properties of 2-phenoxyacetic acid?
2-phenoxyacetic acid has a molecular weight of 152.15 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyacetic acid is sourced from PubChem (CID 19188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).