2-hydroxy-2-phenylpropanoic acid

C9H10O3 — CID 1303

IUPAC2-hydroxy-2-phenylpropanoic acid
SMILESCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)
InChIKeyNWCHELUCVWSRRS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.98
Rot. Bonds2

About 2-hydroxy-2-phenylpropanoic acid

2-hydroxy-2-phenylpropanoic acid (PubChem CID 1303) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenylpropanoic acid
PubChem CID1303
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-hydroxy-2-phenylpropanoic acid
SMILESCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)
InChIKeyNWCHELUCVWSRRS-UHFFFAOYSA-N
XLogP0.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylpropanoic acid?
The IUPAC name of 2-hydroxy-2-phenylpropanoic acid (CID 1303) is 2-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for 2-hydroxy-2-phenylpropanoic acid is CC(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylpropanoic acid?
The InChIKey is NWCHELUCVWSRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11).
What are the key properties of 2-hydroxy-2-phenylpropanoic acid?
2-hydroxy-2-phenylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 1303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).