2-phenoxypropanoic acid

C9H10O3 — CID 13658

IUPAC2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)C(=O)O
InChIInChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKeySXERGJJQSKIUIC-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.54
Rot. Bonds3

About 2-phenoxypropanoic acid

2-phenoxypropanoic acid (PubChem CID 13658) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-phenoxypropanoic acid.

Molecular Properties

Compound Name2-phenoxypropanoic acid
PubChem CID13658
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)C(=O)O
InChIInChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKeySXERGJJQSKIUIC-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxypropanoic acid?
The IUPAC name of 2-phenoxypropanoic acid (CID 13658) is 2-phenoxypropanoic acid.
What is the SMILES notation for 2-phenoxypropanoic acid?
The canonical SMILES for 2-phenoxypropanoic acid is CC(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-phenoxypropanoic acid?
The InChIKey is SXERGJJQSKIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11).
What are the key properties of 2-phenoxypropanoic acid?
2-phenoxypropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypropanoic acid is sourced from PubChem (CID 13658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).