3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione

C14H16O3 — CID 21351325

IUPAC3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione
SMILESCC(CC1C(=O)OC(=O)C1C)c1ccccc1
InChIInChI=1S/C14H16O3/c1-9(11-6-4-3-5-7-11)8-12-10(2)13(15)17-14(12)16/h3-7,9-10,12H,8H2,1-2H3
InChIKeyGZZSBQIOPFZIFW-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.52
Rot. Bonds3

About 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione

3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione (PubChem CID 21351325) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione
PubChem CID21351325
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione
SMILESCC(CC1C(=O)OC(=O)C1C)c1ccccc1
InChIInChI=1S/C14H16O3/c1-9(11-6-4-3-5-7-11)8-12-10(2)13(15)17-14(12)16/h3-7,9-10,12H,8H2,1-2H3
InChIKeyGZZSBQIOPFZIFW-UHFFFAOYSA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(2-phenylpropyl)oxolane-2,5-dione
CID 21344826
3-methyl-4-(2-phenylbutyl)oxolane-2,5-dione
CID 20781539
3-[2,3-dimethyl-4-(4-methyl-2,5-dioxooxolan-3-yl)butyl]-4-methyloxolane-2,5-dione
CID 145217294
2-(2-phenylpropyl)oxolane-3-carboxylic acid
CID 79368306
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
3-methyl-4-(2-methylpentadecyl)oxolane-2,5-dione
CID 118520738
3-methyl-4-(2-prop-1-en-2-yloxypropyl)oxolane-2,5-dione
CID 163666190
N,N-dimethyl-3-[3-methyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]propan-1-amine oxide
CID 154612112
2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(1-phenylpropyl)butanedioic acid
CID 54265099
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
3-methyl-4-[10-(4-methyl-2,5-dioxooxolan-3-yl)decyl]oxolane-2,5-dione
CID 59704222
(3R)-3-phenylbutanal
CID 10877278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione?
The IUPAC name of 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione (CID 21351325) is 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione?
The canonical SMILES for 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione is CC(CC1C(=O)OC(=O)C1C)c1ccccc1.
What is the InChIKey of 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione?
The InChIKey is GZZSBQIOPFZIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-9(11-6-4-3-5-7-11)8-12-10(2)13(15)17-14(12)16/h3-7,9-10,12H,8H2,1-2H3.
What are the key properties of 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione?
3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-phenylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 21351325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).