[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate

C18H18O4 — CID 135063866

IUPAC[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate
SMILESCC(=O)OCC(OC(C)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)21-12-18(22-14(2)20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3
InChIKeyRNSZELGJCOZION-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.52
Rot. Bonds5

About [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate

[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate (PubChem CID 135063866) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate
PubChem CID135063866
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate
SMILESCC(=O)OCC(OC(C)=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)21-12-18(22-14(2)20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3
InChIKeyRNSZELGJCOZION-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-acetyloxy-2-(4-methylphenyl)ethyl] acetate
CID 135064978
3-acetyloxy-3-phenylpropanoic acid;1,1'-biphenyl
CID 19790806
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
[(2S)-2-acetyloxy-2-(4-azidophenyl)ethyl] acetate
CID 135064135
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
[(2S)-2-phenylpropyl] acetate
CID 10261650
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
[(1S)-1-phenylpentyl] acetate
CID 12651064
[cyclopropyl-(4-phenylphenyl)methyl] acetate
CID 540182
acetyloxymethyl 2-(1,2-diacetyloxyethyl)benzoate
CID 123486670
[(2R,4S)-4-acetyloxy-2-hydroxy-2-methyl-4-phenylbutyl] acetate
CID 134934696
2-methylpropyl acetate;toluene
CID 19602176

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate?
The IUPAC name of [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate (CID 135063866) is [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate.
What is the SMILES notation for [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate?
The canonical SMILES for [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate is CC(=O)OCC(OC(C)=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate?
The InChIKey is RNSZELGJCOZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)21-12-18(22-14(2)20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3.
What are the key properties of [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate?
[2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate has a molecular weight of 298.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-2-(4-phenylphenyl)ethyl] acetate is sourced from PubChem (CID 135063866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).