methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate

C26H24O4 — CID 58755262

IUPACmethyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate
SMILESCOC(=O)Cc1coc2cc(OCc3cccc(-c4c(C)cccc4C)c3)ccc12
InChIInChI=1S/C26H24O4/c1-17-6-4-7-18(2)26(17)20-9-5-8-19(12-20)15-29-22-10-11-23-21(13-25(27)28-3)16-30-24(23)14-22/h4-12,14,16H,13,15H2,1-3H3
InChIKeyGAULKGBVAMWYLO-UHFFFAOYSA-N
MW400.47 g/mol
LogP6.01
Rot. Bonds6

About methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate

methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate (PubChem CID 58755262) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate
PubChem CID58755262
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Namemethyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate
SMILESCOC(=O)Cc1coc2cc(OCc3cccc(-c4c(C)cccc4C)c3)ccc12
InChIInChI=1S/C26H24O4/c1-17-6-4-7-18(2)26(17)20-9-5-8-19(12-20)15-29-22-10-11-23-21(13-25(27)28-3)16-30-24(23)14-22/h4-12,14,16H,13,15H2,1-3H3
InChIKeyGAULKGBVAMWYLO-UHFFFAOYSA-N
XLogP6.01
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate with MolForge

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Related Compounds

ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
methyl 3-[4-[[3-(4-hydroxy-2,6-dimethylphenyl)phenyl]methoxy]phenyl]propanoate
CID 57413460
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 8525344
ethyl 3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-2-fluorophenyl]propanoate
CID 51349730
3-[[3-(2,6-dimethylphenyl)phenyl]methoxy]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 57325673
methyl 2-[6-[[4-iodo-2-(1λ3-iodiran-1-yl)phenyl]methoxy]-1-benzofuran-3-yl]acetate
CID 163561626
3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 51350137
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 24854980
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate?
The IUPAC name of methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate (CID 58755262) is methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate?
The canonical SMILES for methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate is COC(=O)Cc1coc2cc(OCc3cccc(-c4c(C)cccc4C)c3)ccc12.
What is the InChIKey of methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate?
The InChIKey is GAULKGBVAMWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c1-17-6-4-7-18(2)26(17)20-9-5-8-19(12-20)15-29-22-10-11-23-21(13-25(27)28-3)16-30-24(23)14-22/h4-12,14,16H,13,15H2,1-3H3.
What are the key properties of methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate?
methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate has a molecular weight of 400.47 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 58755262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).