methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate

C21H18O5 — CID 2427838

IUPACmethyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H18O5/c1-24-20(22)18-13-12-17(26-18)14-25-21(23)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3
InChIKeyCQGXUGZKBBQRFY-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.94
Rot. Bonds6

About methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate

methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate (PubChem CID 2427838) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate
PubChem CID2427838
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Namemethyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H18O5/c1-24-20(22)18-13-12-17(26-18)14-25-21(23)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3
InChIKeyCQGXUGZKBBQRFY-UHFFFAOYSA-N
XLogP3.94
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate (CID 2427838) is methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate?
The InChIKey is CQGXUGZKBBQRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-24-20(22)18-13-12-17(26-18)14-25-21(23)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3.
What are the key properties of methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate?
methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,2-diphenylacetyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2427838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).