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

C26H26O4 — CID 122392031

IUPAC[(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate
SMILESO=C(O[C@H](CCc1ccccc1)C1OCCO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26O4/c27-25(24(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-23(26-28-18-19-29-26)17-16-20-10-4-1-5-11-20/h1-15,23-24,26H,16-19H2/t23-/m1/s1
InChIKeyQBIFZMPOKCTGKV-HSZRJFAPSA-N
MW402.49 g/mol
LogP4.74
Rot. Bonds8

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

[(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate (PubChem CID 122392031) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate
PubChem CID122392031
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name[(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate
SMILESO=C(O[C@H](CCc1ccccc1)C1OCCO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26O4/c27-25(24(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-23(26-28-18-19-29-26)17-16-20-10-4-1-5-11-20/h1-15,23-24,26H,16-19H2/t23-/m1/s1
InChIKeyQBIFZMPOKCTGKV-HSZRJFAPSA-N
XLogP4.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(1,3-dioxolan-2-yl)ethyl] 2,2-diphenylacetate
CID 132941328
1,3-diphenylpropyl carbamate
CID 154100927
(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide
CID 68521140
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
[(1S)-1,3-diphenylpropoxy]methanethioic S-acid
CID 146180519
1,1,1,3,3,3-hexafluoropropan-2-yl (4R)-4-(1,3-dioxolan-2-yl)-5-phenylpentanoate
CID 102457441
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
CID 66664989
2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
CID 102458145
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate?
The IUPAC name of [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate (CID 122392031) is [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate.
What is the SMILES notation for [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate?
The canonical SMILES for [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate is O=C(O[C@H](CCc1ccccc1)C1OCCO1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate?
The InChIKey is QBIFZMPOKCTGKV-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26O4/c27-25(24(21-12-6-2-7-13-21)22-14-8-3-9-15-22)30-23(26-28-18-19-29-26)17-16-20-10-4-1-5-11-20/h1-15,23-24,26H,16-19H2/t23-/m1/s1.
What are the key properties of [(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate?
[(1R)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl] 2,2-diphenylacetate has a molecular weight of 402.49 g/mol, XLogP of 4.74, 8 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)-3-phenylpropyl] 2,2-diphenylacetate is sourced from PubChem (CID 122392031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).