3-benzyl-4-(2-oxopropyl)oxolan-2-one

C14H16O3 — CID 15889694

IUPAC3-benzyl-4-(2-oxopropyl)oxolan-2-one
SMILESCC(=O)CC1COC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H16O3/c1-10(15)7-12-9-17-14(16)13(12)8-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3
InChIKeyQGNDRBGCIZZJTC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.00
Rot. Bonds4

About 3-benzyl-4-(2-oxopropyl)oxolan-2-one

3-benzyl-4-(2-oxopropyl)oxolan-2-one (PubChem CID 15889694) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-benzyl-4-(2-oxopropyl)oxolan-2-one.

Molecular Properties

Compound Name3-benzyl-4-(2-oxopropyl)oxolan-2-one
PubChem CID15889694
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name3-benzyl-4-(2-oxopropyl)oxolan-2-one
SMILESCC(=O)CC1COC(=O)C1Cc1ccccc1
InChIInChI=1S/C14H16O3/c1-10(15)7-12-9-17-14(16)13(12)8-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3
InChIKeyQGNDRBGCIZZJTC-UHFFFAOYSA-N
XLogP2.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Iophendylate
CID 7458
Ethyl 3-phenylpropionate
CID 16237
Ethyl 4-phenylbutanoate
CID 61452
3-Phenyl propyl hexanoate
CID 221417
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Ethyl alpha-benzylacetoacetate
CID 246929
Ethyl 2-ethyl-3-phenylpropanoate
CID 62469
3-Phenyloxolan-2-one
CID 23269
Ethyl alpha-oxobenzenebutanoate
CID 562087
Benzeneacetic acid, alpha-ethyl-, ethyl ester
CID 97713
Ethyl 10-(2-iodophenyl)undecanoate
CID 3037234
Diethyl 2,4-diacetyl-3-phenylpentanedioate
CID 297900

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2-oxopropyl)oxolan-2-one?
The IUPAC name of 3-benzyl-4-(2-oxopropyl)oxolan-2-one (CID 15889694) is 3-benzyl-4-(2-oxopropyl)oxolan-2-one.
What is the SMILES notation for 3-benzyl-4-(2-oxopropyl)oxolan-2-one?
The canonical SMILES for 3-benzyl-4-(2-oxopropyl)oxolan-2-one is CC(=O)CC1COC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-(2-oxopropyl)oxolan-2-one?
The InChIKey is QGNDRBGCIZZJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-10(15)7-12-9-17-14(16)13(12)8-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3.
What are the key properties of 3-benzyl-4-(2-oxopropyl)oxolan-2-one?
3-benzyl-4-(2-oxopropyl)oxolan-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2-oxopropyl)oxolan-2-one is sourced from PubChem (CID 15889694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).