ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate

C24H24O5 — CID 10834346

IUPACethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccccc1C(O)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O5/c1-2-28-23(26)22(18-11-5-3-6-12-18)29-21-16-10-9-15-20(21)24(27,17-25)19-13-7-4-8-14-19/h3-16,22,25,27H,2,17H2,1H3
InChIKeyRAZDFQBMTJIJIA-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.60
Rot. Bonds8

About ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate

ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate (PubChem CID 10834346) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate
PubChem CID10834346
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Nameethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate
SMILESCCOC(=O)C(Oc1ccccc1C(O)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O5/c1-2-28-23(26)22(18-11-5-3-6-12-18)29-21-16-10-9-15-20(21)24(27,17-25)19-13-7-4-8-14-19/h3-16,22,25,27H,2,17H2,1H3
InChIKeyRAZDFQBMTJIJIA-UHFFFAOYSA-N
XLogP3.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-fluorophenoxy)-2-phenylacetate
CID 117059060
lithium;alumane;ethyl 2-[2-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]acetate;hydride;2-[2-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 159900377
ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl 2-(4-methylsulfanylphenoxy)-2-phenylacetate
CID 106676827
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
CID 122517611
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate?
The IUPAC name of ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate (CID 10834346) is ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate?
The canonical SMILES for ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate is CCOC(=O)C(Oc1ccccc1C(O)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate?
The InChIKey is RAZDFQBMTJIJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-2-28-23(26)22(18-11-5-3-6-12-18)29-21-16-10-9-15-20(21)24(27,17-25)19-13-7-4-8-14-19/h3-16,22,25,27H,2,17H2,1H3.
What are the key properties of ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate?
ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate has a molecular weight of 392.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,2-dihydroxy-1-phenylethyl)phenoxy]-2-phenylacetate is sourced from PubChem (CID 10834346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).