3-(2,2-diphenylethyl)-5-ethyloxolan-2-one

C20H22O2 — CID 150618928

IUPAC3-(2,2-diphenylethyl)-5-ethyloxolan-2-one
SMILESCCC1CC(CC(c2ccccc2)c2ccccc2)C(=O)O1
InChIInChI=1S/C20H22O2/c1-2-18-13-17(20(21)22-18)14-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-19H,2,13-14H2,1H3
InChIKeyIVMFUAJVBXCZEF-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.55
Rot. Bonds5

About 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one

3-(2,2-diphenylethyl)-5-ethyloxolan-2-one (PubChem CID 150618928) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one.

Molecular Properties

Compound Name3-(2,2-diphenylethyl)-5-ethyloxolan-2-one
PubChem CID150618928
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name3-(2,2-diphenylethyl)-5-ethyloxolan-2-one
SMILESCCC1CC(CC(c2ccccc2)c2ccccc2)C(=O)O1
InChIInChI=1S/C20H22O2/c1-2-18-13-17(20(21)22-18)14-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-19H,2,13-14H2,1H3
InChIKeyIVMFUAJVBXCZEF-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-5-(ethoxymethyl)oxolan-2-one
CID 12815720
(3S,5R)-5-ethyl-2-oxooxolane-3-carbaldehyde
CID 45083464
(3R,6R)-3,6-diethyloxan-2-one
CID 129383113
3-(benzylsulfanylmethyl)-5-(1-benzylsulfanylpropan-2-yl)oxolan-2-one
CID 19378145
(3R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-3-(2-methylpropyl)oxolan-2-one
CID 66645562
5-(1,2-dihydroxyethyl)-3-ethyloxolan-2-one
CID 68573722
3-ethyl-5-(2-methoxyethyl)oxolan-2-one
CID 91406082
1-cyclopenta-2,4-dien-1-ylbutan-2-ylbenzene
CID 11985593
5-ethyl-2-oxooxolane-3-carbonitrile
CID 13130972
ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate
CID 101462180
(3R,5R)-5-butyl-3-phenyloxolan-2-one
CID 14968658
3-methyl-4-(2-phenylbutyl)oxolane-2,5-dione
CID 20781539

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one?
The IUPAC name of 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one (CID 150618928) is 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one.
What is the SMILES notation for 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one?
The canonical SMILES for 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one is CCC1CC(CC(c2ccccc2)c2ccccc2)C(=O)O1.
What is the InChIKey of 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one?
The InChIKey is IVMFUAJVBXCZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-18-13-17(20(21)22-18)14-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-19H,2,13-14H2,1H3.
What are the key properties of 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one?
3-(2,2-diphenylethyl)-5-ethyloxolan-2-one has a molecular weight of 294.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethyl)-5-ethyloxolan-2-one is sourced from PubChem (CID 150618928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).