[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate

C19H20O4 — CID 132941328

IUPAC[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate
SMILESC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C1OCCO1
InChIInChI=1S/C19H20O4/c1-14(19-21-12-13-22-19)23-18(20)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3/t14-/m1/s1
InChIKeyGHCVYWPMXNLUPC-CQSZACIVSA-N
MW312.37 g/mol
LogP3.12
Rot. Bonds5

About [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate

[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate (PubChem CID 132941328) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate
PubChem CID132941328
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate
SMILESC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C1OCCO1
InChIInChI=1S/C19H20O4/c1-14(19-21-12-13-22-19)23-18(20)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3/t14-/m1/s1
InChIKeyGHCVYWPMXNLUPC-CQSZACIVSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate
CID 122392031
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
2-(1-phenoxyethyl)-1,3-dioxolane
CID 174488411
3-(3-hydroxybutan-2-yloxy)butan-2-yl 2,2-diphenylacetate
CID 141498905
[(1R)-1-(furan-2-yl)-2-methylpropyl] 2,2-diphenylacetate
CID 102259545
[(2S)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846537
[(2R)-2-(2,2-diphenylacetyl)oxypropyl]-trimethylazanium
CID 846538
diethyl 2-[(S)-1,3-dioxolan-2-yl(phenyl)methyl]-2-hydroxypropanedioate
CID 101158839
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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate?
The IUPAC name of [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate (CID 132941328) is [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate.
What is the SMILES notation for [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate?
The canonical SMILES for [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate is C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C1OCCO1.
What is the InChIKey of [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate?
The InChIKey is GHCVYWPMXNLUPC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20O4/c1-14(19-21-12-13-22-19)23-18(20)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate?
[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate has a molecular weight of 312.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate is sourced from PubChem (CID 132941328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).