ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate

C23H20O5 — CID 158821566

IUPACethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate
SMILESCCOC(=O)Cc1coc2cc3ccc(Oc4cccc(OC)c4)cc3cc12
InChIInChI=1S/C23H20O5/c1-3-26-23(24)12-17-14-27-22-11-15-7-8-20(9-16(15)10-21(17)22)28-19-6-4-5-18(13-19)25-2/h4-11,13-14H,3,12H2,1-2H3
InChIKeyYPAOEEUYFUSQQH-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.49
Rot. Bonds6

About ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate

ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate (PubChem CID 158821566) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate
PubChem CID158821566
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Nameethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate
SMILESCCOC(=O)Cc1coc2cc3ccc(Oc4cccc(OC)c4)cc3cc12
InChIInChI=1S/C23H20O5/c1-3-26-23(24)12-17-14-27-22-11-15-7-8-20(9-16(15)10-21(17)22)28-19-6-4-5-18(13-19)25-2/h4-11,13-14H,3,12H2,1-2H3
InChIKeyYPAOEEUYFUSQQH-UHFFFAOYSA-N
XLogP5.49
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate with MolForge

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Related Compounds

benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate
CID 14844842
ethyl 2-(5-iodo-6-methyl-1-benzofuran-3-yl)acetate
CID 161350114
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
ethyl 2-(6-bromo-5-methyl-1-benzofuran-3-yl)acetate
CID 162195256
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
CID 132539637
ethyl 2-[5-(2-bromoethoxy)-1-benzofuran-3-yl]acetate
CID 168752670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate?
The IUPAC name of ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate (CID 158821566) is ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate is CCOC(=O)Cc1coc2cc3ccc(Oc4cccc(OC)c4)cc3cc12.
What is the InChIKey of ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate?
The InChIKey is YPAOEEUYFUSQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-3-26-23(24)12-17-14-27-22-11-15-7-8-20(9-16(15)10-21(17)22)28-19-6-4-5-18(13-19)25-2/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate?
ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate has a molecular weight of 376.41 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate is sourced from PubChem (CID 158821566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).