3-benzyl-4-hydroxybutanoic acid

C11H14O3 — CID 14168395

IUPAC3-benzyl-4-hydroxybutanoic acid
SMILESO=C(O)CC(CO)Cc1ccccc1
InChIInChI=1S/C11H14O3/c12-8-10(7-11(13)14)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyAWUFPAXGBZMLHT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds5

About 3-benzyl-4-hydroxybutanoic acid

3-benzyl-4-hydroxybutanoic acid (PubChem CID 14168395) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-benzyl-4-hydroxybutanoic acid.

Molecular Properties

Compound Name3-benzyl-4-hydroxybutanoic acid
PubChem CID14168395
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-benzyl-4-hydroxybutanoic acid
SMILESO=C(O)CC(CO)Cc1ccccc1
InChIInChI=1S/C11H14O3/c12-8-10(7-11(13)14)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKeyAWUFPAXGBZMLHT-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxybutanoic acid?
The IUPAC name of 3-benzyl-4-hydroxybutanoic acid (CID 14168395) is 3-benzyl-4-hydroxybutanoic acid.
What is the SMILES notation for 3-benzyl-4-hydroxybutanoic acid?
The canonical SMILES for 3-benzyl-4-hydroxybutanoic acid is O=C(O)CC(CO)Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxybutanoic acid?
The InChIKey is AWUFPAXGBZMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-8-10(7-11(13)14)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14).
What are the key properties of 3-benzyl-4-hydroxybutanoic acid?
3-benzyl-4-hydroxybutanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxybutanoic acid is sourced from PubChem (CID 14168395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).