2-hydroxy-3-phenylbutanoic acid

C10H12O3 — CID 22949998

IUPAC2-hydroxy-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(O)C(=O)O
InChIInChI=1S/C10H12O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)
InChIKeyQLCVGHRWKIOGCM-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.24
Rot. Bonds3

About 2-hydroxy-3-phenylbutanoic acid

2-hydroxy-3-phenylbutanoic acid (PubChem CID 22949998) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-hydroxy-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-phenylbutanoic acid
PubChem CID22949998
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-hydroxy-3-phenylbutanoic acid
SMILESCC(c1ccccc1)C(O)C(=O)O
InChIInChI=1S/C10H12O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13)
InChIKeyQLCVGHRWKIOGCM-UHFFFAOYSA-N
XLogP1.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylbutanoic acid?
The IUPAC name of 2-hydroxy-3-phenylbutanoic acid (CID 22949998) is 2-hydroxy-3-phenylbutanoic acid.
What is the SMILES notation for 2-hydroxy-3-phenylbutanoic acid?
The canonical SMILES for 2-hydroxy-3-phenylbutanoic acid is CC(c1ccccc1)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-phenylbutanoic acid?
The InChIKey is QLCVGHRWKIOGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9,11H,1H3,(H,12,13).
What are the key properties of 2-hydroxy-3-phenylbutanoic acid?
2-hydroxy-3-phenylbutanoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylbutanoic acid is sourced from PubChem (CID 22949998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).