3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate

C22H28O4 — CID 141498905

IUPAC3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
SMILESCC(O)C(C)OC(C)C(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4/c1-15(23)16(2)25-17(3)18(4)26-22(24)21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,21,23H,1-4H3
InChIKeyXEWBGJRDYVRUEB-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.92
Rot. Bonds8

About 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate

3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate (PubChem CID 141498905) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate.

Molecular Properties

Compound Name3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
PubChem CID141498905
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
SMILESCC(O)C(C)OC(C)C(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4/c1-15(23)16(2)25-17(3)18(4)26-22(24)21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,21,23H,1-4H3
InChIKeyXEWBGJRDYVRUEB-UHFFFAOYSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(2S)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846537
[(2R)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846538
3-hydroxy-1,1-diphenylbutan-2-one
CID 91337190
[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate
CID 102259545
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
tris[(2,2-diphenylacetyl)oxy]stannyl 2,2-diphenylacetate
CID 141350105
1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylacetate
CID 4683134
[(2S)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,2-diphenylacetate
CID 6956995
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate
CID 132941328
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749903

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate?
The IUPAC name of 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate (CID 141498905) is 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate.
What is the SMILES notation for 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate?
The canonical SMILES for 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate is CC(O)C(C)OC(C)C(C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate?
The InChIKey is XEWBGJRDYVRUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-15(23)16(2)25-17(3)18(4)26-22(24)21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18,21,23H,1-4H3.
What are the key properties of 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate?
3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate has a molecular weight of 356.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate is sourced from PubChem (CID 141498905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).