methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate

C23H18O5 — CID 7901833

IUPACmethyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C23H18O5/c1-26-23(25)17-8-6-15(7-9-17)13-28-21(24)12-18-14-27-20-11-10-16-4-2-3-5-19(16)22(18)20/h2-11,14H,12-13H2,1H3
InChIKeyIFXHBSMFAKARTB-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.66
Rot. Bonds5

About methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate

methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate (PubChem CID 7901833) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
PubChem CID7901833
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Namemethyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)Cc2coc3ccc4ccccc4c23)cc1
InChIInChI=1S/C23H18O5/c1-26-23(25)17-8-6-15(7-9-17)13-28-21(24)12-18-14-27-20-11-10-16-4-2-3-5-19(16)22(18)20/h2-11,14H,12-13H2,1H3
InChIKeyIFXHBSMFAKARTB-UHFFFAOYSA-N
XLogP4.66
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate with MolForge

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Related Compounds

methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998
[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 55534378
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525572
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 31274979
methyl 4-[(3-oxobenzo[f]chromen-1-yl)methoxy]benzoate
CID 2495651

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate?
The IUPAC name of methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate (CID 7901833) is methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate?
The canonical SMILES for methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)Cc2coc3ccc4ccccc4c23)cc1.
What is the InChIKey of methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate?
The InChIKey is IFXHBSMFAKARTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-26-23(25)17-8-6-15(7-9-17)13-28-21(24)12-18-14-27-20-11-10-16-4-2-3-5-19(16)22(18)20/h2-11,14H,12-13H2,1H3.
What are the key properties of methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate?
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate has a molecular weight of 374.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate is sourced from PubChem (CID 7901833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).