5-oxo-5-phenylmethoxypentanoic acid

C12H14O4 — CID 11053234

IUPAC5-oxo-5-phenylmethoxypentanoic acid
SMILESO=C(O)CCCC(=O)OCc1ccccc1
InChIInChI=1S/C12H14O4/c13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyWRSDJJXJDSEUSQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.98
Rot. Bonds6

About 5-oxo-5-phenylmethoxypentanoic acid

5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 11053234) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name5-oxo-5-phenylmethoxypentanoic acid
PubChem CID11053234
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name5-oxo-5-phenylmethoxypentanoic acid
SMILESO=C(O)CCCC(=O)OCc1ccccc1
InChIInChI=1S/C12H14O4/c13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChIKeyWRSDJJXJDSEUSQ-UHFFFAOYSA-N
XLogP1.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of 5-oxo-5-phenylmethoxypentanoic acid (CID 11053234) is 5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for 5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for 5-oxo-5-phenylmethoxypentanoic acid is O=C(O)CCCC(=O)OCc1ccccc1.
What is the InChIKey of 5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is WRSDJJXJDSEUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14).
What are the key properties of 5-oxo-5-phenylmethoxypentanoic acid?
5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 11053234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).