methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate

C20H22O6 — CID 15379666

IUPACmethyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate
SMILESCOC(=O)C(O)C(OCCOC(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O6/c1-15(21)25-13-14-26-20(18(22)19(23)24-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,22H,13-14H2,1-2H3
InChIKeyPITFMWSVSBIUIM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.04
Rot. Bonds8

About methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate

methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate (PubChem CID 15379666) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate
PubChem CID15379666
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Namemethyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate
SMILESCOC(=O)C(O)C(OCCOC(C)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O6/c1-15(21)25-13-14-26-20(18(22)19(23)24-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,22H,13-14H2,1-2H3
InChIKeyPITFMWSVSBIUIM-UHFFFAOYSA-N
XLogP2.04
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate?
The IUPAC name of methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate (CID 15379666) is methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate?
The canonical SMILES for methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate is COC(=O)C(O)C(OCCOC(C)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate?
The InChIKey is PITFMWSVSBIUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-15(21)25-13-14-26-20(18(22)19(23)24-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,22H,13-14H2,1-2H3.
What are the key properties of methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate?
methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate has a molecular weight of 358.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-acetyloxyethoxy)-2-hydroxy-3,3-diphenylpropanoate is sourced from PubChem (CID 15379666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).