methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate

C20H18O5 — CID 2418998

IUPACmethyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)Cc2coc3cc(C)ccc23)cc1
InChIInChI=1S/C20H18O5/c1-13-3-8-17-16(12-24-18(17)9-13)10-19(21)25-11-14-4-6-15(7-5-14)20(22)23-2/h3-9,12H,10-11H2,1-2H3
InChIKeyBMHSQNPRMWYANC-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.81
Rot. Bonds5

About methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate

methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate (PubChem CID 2418998) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
PubChem CID2418998
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Namemethyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)Cc2coc3cc(C)ccc23)cc1
InChIInChI=1S/C20H18O5/c1-13-3-8-17-16(12-24-18(17)9-13)10-19(21)25-11-14-4-6-15(7-5-14)20(22)23-2/h3-9,12H,10-11H2,1-2H3
InChIKeyBMHSQNPRMWYANC-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

Analyze methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate with MolForge

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Related Compounds

methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 8525344
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833
methyl 4-[[2-[2-(6-hydroxy-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7807198
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
methyl 3-[[2-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 8525388
2-butoxyethyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 86888711
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414844
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 32971967
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate (CID 2418998) is methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)Cc2coc3cc(C)ccc23)cc1.
What is the InChIKey of methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
The InChIKey is BMHSQNPRMWYANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-13-3-8-17-16(12-24-18(17)9-13)10-19(21)25-11-14-4-6-15(7-5-14)20(22)23-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate?
methyl 4-[[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 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate is sourced from PubChem (CID 2418998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).