methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate

C20H18O5 — CID 8525344

IUPACmethyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)Cc2coc3cc(C)ccc23)c1
InChIInChI=1S/C20H18O5/c1-13-6-7-17-16(12-24-18(17)8-13)10-19(21)25-11-14-4-3-5-15(9-14)20(22)23-2/h3-9,12H,10-11H2,1-2H3
InChIKeyHRBODQJHCKSZET-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.81
Rot. Bonds5

About methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate

methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate (PubChem CID 8525344) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
PubChem CID8525344
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Namemethyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)Cc2coc3cc(C)ccc23)c1
InChIInChI=1S/C20H18O5/c1-13-6-7-17-16(12-24-18(17)8-13)10-19(21)25-11-14-4-3-5-15(9-14)20(22)23-2/h3-9,12H,10-11H2,1-2H3
InChIKeyHRBODQJHCKSZET-UHFFFAOYSA-N
XLogP3.81
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
(2,6-dimethoxyphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 4816242
methyl 3-[[2-(4-fluorophenyl)acetyl]oxymethyl]benzoate
CID 78760155
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
2-butoxyethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86888711
(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414844
(6-bromo-1,3-benzodioxol-5-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7480699

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate (CID 8525344) is methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate is COC(=O)c1cccc(COC(=O)Cc2coc3cc(C)ccc23)c1.
What is the InChIKey of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
The InChIKey is HRBODQJHCKSZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-13-6-7-17-16(12-24-18(17)8-13)10-19(21)25-11-14-4-3-5-15(9-14)20(22)23-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate is sourced from PubChem (CID 8525344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).