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

C22H24O3 — CID 21344826

IUPAC3,4-bis(2-phenylpropyl)oxolane-2,5-dione
SMILESCC(CC1C(=O)OC(=O)C1CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24O3/c1-15(17-9-5-3-6-10-17)13-19-20(22(24)25-21(19)23)14-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3
InChIKeyLJRQBCVDHKRCOO-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.69
Rot. Bonds6

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

3,4-bis(2-phenylpropyl)oxolane-2,5-dione (PubChem CID 21344826) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3,4-bis(2-phenylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3,4-bis(2-phenylpropyl)oxolane-2,5-dione
PubChem CID21344826
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name3,4-bis(2-phenylpropyl)oxolane-2,5-dione
SMILESCC(CC1C(=O)OC(=O)C1CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24O3/c1-15(17-9-5-3-6-10-17)13-19-20(22(24)25-21(19)23)14-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3
InChIKeyLJRQBCVDHKRCOO-UHFFFAOYSA-N
XLogP4.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.69
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-methyl-4-(2-phenylpropyl)oxolane-2,5-dione
CID 21351325
3-methyl-4-(2-phenylbutyl)oxolane-2,5-dione
CID 20781539
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
(3R)-3-phenylbutanal
CID 10877278
(2R)-2-[(2R)-2-phenylpropyl]imidazolidin-4-one
CID 129386210
2-amino-4-phenylpentanoic acid;hydrochloride
CID 70445326
2-(2-phenylpropyl)oxolane-3-carboxylic acid
CID 79368306
N,N-dimethyl-3-[3-methyl-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-1-yl]propan-1-amine oxide
CID 154612112
barium(2+);hydride;2-(2-phenylpropyl)propanedioic acid
CID 174968808
2-(2-phenylpropyl)thiolane 1,1-dioxide
CID 70637114
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-phenylpropyl)oxolane-2,5-dione?
The IUPAC name of 3,4-bis(2-phenylpropyl)oxolane-2,5-dione (CID 21344826) is 3,4-bis(2-phenylpropyl)oxolane-2,5-dione.
What is the SMILES notation for 3,4-bis(2-phenylpropyl)oxolane-2,5-dione?
The canonical SMILES for 3,4-bis(2-phenylpropyl)oxolane-2,5-dione is CC(CC1C(=O)OC(=O)C1CC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3,4-bis(2-phenylpropyl)oxolane-2,5-dione?
The InChIKey is LJRQBCVDHKRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-15(17-9-5-3-6-10-17)13-19-20(22(24)25-21(19)23)14-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3.
What are the key properties of 3,4-bis(2-phenylpropyl)oxolane-2,5-dione?
3,4-bis(2-phenylpropyl)oxolane-2,5-dione has a molecular weight of 336.43 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-phenylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 21344826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).