2-(2-phenylacetyl)oxyacetic acid

C10H10O4 — CID 54446597

IUPAC2-(2-phenylacetyl)oxyacetic acid
SMILESO=C(O)COC(=O)Cc1ccccc1
InChIInChI=1S/C10H10O4/c11-9(12)7-14-10(13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKeyWRYJMEQATCHBRJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.86
Rot. Bonds4

About 2-(2-phenylacetyl)oxyacetic acid

2-(2-phenylacetyl)oxyacetic acid (PubChem CID 54446597) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2-phenylacetyl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-phenylacetyl)oxyacetic acid
PubChem CID54446597
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(2-phenylacetyl)oxyacetic acid
SMILESO=C(O)COC(=O)Cc1ccccc1
InChIInChI=1S/C10H10O4/c11-9(12)7-14-10(13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKeyWRYJMEQATCHBRJ-UHFFFAOYSA-N
XLogP0.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylacetyl)oxyacetic acid?
The IUPAC name of 2-(2-phenylacetyl)oxyacetic acid (CID 54446597) is 2-(2-phenylacetyl)oxyacetic acid.
What is the SMILES notation for 2-(2-phenylacetyl)oxyacetic acid?
The canonical SMILES for 2-(2-phenylacetyl)oxyacetic acid is O=C(O)COC(=O)Cc1ccccc1.
What is the InChIKey of 2-(2-phenylacetyl)oxyacetic acid?
The InChIKey is WRYJMEQATCHBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-9(12)7-14-10(13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12).
What are the key properties of 2-(2-phenylacetyl)oxyacetic acid?
2-(2-phenylacetyl)oxyacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylacetyl)oxyacetic acid is sourced from PubChem (CID 54446597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).