2-Phenylpropionic acid

C9H10O2 — CID 10296

IUPAC2-phenylpropanoic acid
SMILESCC(C1=CC=CC=C1)C(=O)O
InChIInChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKeyYPGCWEMNNLXISK-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.90
Rot. Bonds2

About 2-Phenylpropionic acid

2-Phenylpropionic acid (PubChem CID 10296) has the molecular formula C9H10O2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-phenylpropanoic acid.

Molecular Properties

Compound Name2-Phenylpropionic acid
PubChem CID10296
Molecular FormulaC9H10O2
Molecular Weight150.17 g/mol
Exact Mass150.07
IUPAC Name2-phenylpropanoic acid
SMILESCC(C1=CC=CC=C1)C(=O)O
InChIInChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKeyYPGCWEMNNLXISK-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-Phenylpropionic acid?
The IUPAC name of 2-Phenylpropionic acid (CID 10296) is 2-phenylpropanoic acid.
What is the SMILES notation for 2-Phenylpropionic acid?
The canonical SMILES for 2-Phenylpropionic acid is CC(C1=CC=CC=C1)C(=O)O.
What is the InChIKey of 2-Phenylpropionic acid?
The InChIKey is YPGCWEMNNLXISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11).
What are the key properties of 2-Phenylpropionic acid?
2-Phenylpropionic acid has a molecular weight of 150.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Phenylpropionic acid is sourced from PubChem (CID 10296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).