2-phenylpropanoic acid

C9H10O2 — CID 10296

IUPAC2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKeyYPGCWEMNNLXISK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.87
Rot. Bonds2

About 2-phenylpropanoic acid

2-phenylpropanoic acid (PubChem CID 10296) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-phenylpropanoic acid.

Molecular Properties

Compound Name2-phenylpropanoic acid
PubChem CID10296
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKeyYPGCWEMNNLXISK-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpropanoic acid?
The IUPAC name of 2-phenylpropanoic acid (CID 10296) is 2-phenylpropanoic acid.
What is the SMILES notation for 2-phenylpropanoic acid?
The canonical SMILES for 2-phenylpropanoic acid is CC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenylpropanoic 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-phenylpropanoic acid?
2-phenylpropanoic acid has a molecular weight of 150.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropanoic acid is sourced from PubChem (CID 10296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).