3-hydroxy-5-phenylpentanoic acid

C11H14O3 — CID 11106233

IUPAC3-hydroxy-5-phenylpentanoic acid
SMILESO=C(O)CC(O)CCc1ccccc1
InChIInChI=1S/C11H14O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyIMMRMPAXYUIDLR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.45
Rot. Bonds5

About 3-hydroxy-5-phenylpentanoic acid

3-hydroxy-5-phenylpentanoic acid (PubChem CID 11106233) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-hydroxy-5-phenylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-5-phenylpentanoic acid
PubChem CID11106233
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-hydroxy-5-phenylpentanoic acid
SMILESO=C(O)CC(O)CCc1ccccc1
InChIInChI=1S/C11H14O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyIMMRMPAXYUIDLR-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 3-hydroxy-5-phenylpentanoic acid?
The IUPAC name of 3-hydroxy-5-phenylpentanoic acid (CID 11106233) is 3-hydroxy-5-phenylpentanoic acid.
What is the SMILES notation for 3-hydroxy-5-phenylpentanoic acid?
The canonical SMILES for 3-hydroxy-5-phenylpentanoic acid is O=C(O)CC(O)CCc1ccccc1.
What is the InChIKey of 3-hydroxy-5-phenylpentanoic acid?
The InChIKey is IMMRMPAXYUIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10(8-11(13)14)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14).
What are the key properties of 3-hydroxy-5-phenylpentanoic acid?
3-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 3-hydroxy-5-phenylpentanoic acid is sourced from PubChem (CID 11106233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).