[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate

C22H22O3 — CID 102259545

IUPAC[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate
SMILESCC(C)[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C22H22O3/c1-16(2)21(19-14-9-15-24-19)25-22(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20-21H,1-2H3/t21-/m1/s1
InChIKeyQZVZPQZJYINSSE-OAQYLSRUSA-N
MW334.42 g/mol
LogP5.35
Rot. Bonds6

About [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate

[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate (PubChem CID 102259545) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate
PubChem CID102259545
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate
SMILESCC(C)[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C22H22O3/c1-16(2)21(19-14-9-15-24-19)25-22(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20-21H,1-2H3/t21-/m1/s1
InChIKeyQZVZPQZJYINSSE-OAQYLSRUSA-N
XLogP5.35
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
CID 141498905
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate
CID 132941328
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
[(2S)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846537
[(2R)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846538
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate?
The IUPAC name of [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate (CID 102259545) is [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate.
What is the SMILES notation for [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate?
The canonical SMILES for [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate is CC(C)[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate?
The InChIKey is QZVZPQZJYINSSE-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22O3/c1-16(2)21(19-14-9-15-24-19)25-22(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20-21H,1-2H3/t21-/m1/s1.
What are the key properties of [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate?
[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate has a molecular weight of 334.42 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate is sourced from PubChem (CID 102259545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).