2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid

C20H22O4 — CID 69429170

IUPAC2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid
SMILESCOCC(=O)C(CCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22O4/c1-24-14-19(21)18(20(22)23)13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,22,23)
InChIKeyCBLCVGSOHWIWBZ-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.52
Rot. Bonds9

About 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid

2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid (PubChem CID 69429170) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid.

Molecular Properties

Compound Name2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid
PubChem CID69429170
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid
SMILESCOCC(=O)C(CCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C20H22O4/c1-24-14-19(21)18(20(22)23)13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,22,23)
InChIKeyCBLCVGSOHWIWBZ-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid?
The IUPAC name of 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid (CID 69429170) is 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid.
What is the SMILES notation for 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid?
The canonical SMILES for 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid is COCC(=O)C(CCC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid?
The InChIKey is CBLCVGSOHWIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-24-14-19(21)18(20(22)23)13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,22,23).
What are the key properties of 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid?
2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid has a molecular weight of 326.39 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyacetyl)-5,5-diphenylpentanoic acid is sourced from PubChem (CID 69429170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).