benzyl 2-phenyl-2-propoxyacetate

C18H20O3 — CID 57015298

IUPACbenzyl 2-phenyl-2-propoxyacetate
SMILESCCCOC(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-13-20-17(16-11-7-4-8-12-16)18(19)21-14-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
InChIKeyYKSOTKFTZFXCNB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.90
Rot. Bonds7

About benzyl 2-phenyl-2-propoxyacetate

benzyl 2-phenyl-2-propoxyacetate (PubChem CID 57015298) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is benzyl 2-phenyl-2-propoxyacetate.

Molecular Properties

Compound Namebenzyl 2-phenyl-2-propoxyacetate
PubChem CID57015298
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namebenzyl 2-phenyl-2-propoxyacetate
SMILESCCCOC(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-13-20-17(16-11-7-4-8-12-16)18(19)21-14-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
InChIKeyYKSOTKFTZFXCNB-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-propoxyacetohydrazide
CID 63569629
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
benzyl 2-butylhexanoate
CID 175287311
1-propoxyethoxymethylbenzene
CID 141304441
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
benzyl 2-phenylheptanoate
CID 175026183
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
3-O-benzyl 1-O-ethyl 2-ethylpropanedioate
CID 57182542
benzyl 2-decyldodecanoate
CID 129279401

Frequently Asked Questions

What is the IUPAC name of benzyl 2-phenyl-2-propoxyacetate?
The IUPAC name of benzyl 2-phenyl-2-propoxyacetate (CID 57015298) is benzyl 2-phenyl-2-propoxyacetate.
What is the SMILES notation for benzyl 2-phenyl-2-propoxyacetate?
The canonical SMILES for benzyl 2-phenyl-2-propoxyacetate is CCCOC(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 2-phenyl-2-propoxyacetate?
The InChIKey is YKSOTKFTZFXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-13-20-17(16-11-7-4-8-12-16)18(19)21-14-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3.
What are the key properties of benzyl 2-phenyl-2-propoxyacetate?
benzyl 2-phenyl-2-propoxyacetate has a molecular weight of 284.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-phenyl-2-propoxyacetate is sourced from PubChem (CID 57015298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).