(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

C22H22O6 — CID 9168101

IUPAC(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C22H22O6/c1-4-26-20-8-5-15(14(2)23)9-17(20)13-28-22(24)10-16-12-27-21-11-18(25-3)6-7-19(16)21/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyZEUOVKJYEZWSMI-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.33
Rot. Bonds8

About (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate

(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 9168101) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID9168101
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C22H22O6/c1-4-26-20-8-5-15(14(2)23)9-17(20)13-28-22(24)10-16-12-27-21-11-18(25-3)6-7-19(16)21/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyZEUOVKJYEZWSMI-UHFFFAOYSA-N
XLogP4.33
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013688
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
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
(5-acetyl-2-ethoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629792
N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 26686594
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 32971967
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7719010
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42983061
methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
CID 24626688
(4-propoxyphenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55339227

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 9168101) is (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is CCOc1ccc(C(C)=O)cc1COC(=O)Cc1coc2cc(OC)ccc12.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is ZEUOVKJYEZWSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-4-26-20-8-5-15(14(2)23)9-17(20)13-28-22(24)10-16-12-27-21-11-18(25-3)6-7-19(16)21/h5-9,11-12H,4,10,13H2,1-3H3.
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate?
(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 382.41 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 9168101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).