2-hydroxy-5-phenylpentanoic acid

C11H14O3 — CID 18008536

IUPAC2-hydroxy-5-phenylpentanoic acid
SMILESO=C(O)C(O)CCCc1ccccc1
InChIInChI=1S/C11H14O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)
InChIKeyJZWSJKRJDWHVBS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds5

About 2-hydroxy-5-phenylpentanoic acid

2-hydroxy-5-phenylpentanoic acid (PubChem CID 18008536) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-hydroxy-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-5-phenylpentanoic acid
PubChem CID18008536
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-hydroxy-5-phenylpentanoic acid
SMILESO=C(O)C(O)CCCc1ccccc1
InChIInChI=1S/C11H14O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)
InChIKeyJZWSJKRJDWHVBS-UHFFFAOYSA-N
XLogP1.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-phenylpentanoic acid?
The IUPAC name of 2-hydroxy-5-phenylpentanoic acid (CID 18008536) is 2-hydroxy-5-phenylpentanoic acid.
What is the SMILES notation for 2-hydroxy-5-phenylpentanoic acid?
The canonical SMILES for 2-hydroxy-5-phenylpentanoic acid is O=C(O)C(O)CCCc1ccccc1.
What is the InChIKey of 2-hydroxy-5-phenylpentanoic acid?
The InChIKey is JZWSJKRJDWHVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14).
What are the key properties of 2-hydroxy-5-phenylpentanoic acid?
2-hydroxy-5-phenylpentanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-phenylpentanoic acid is sourced from PubChem (CID 18008536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).