(5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

C22H22O6 — CID 5109453

IUPAC(5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCc3cc(C(C)=O)ccc3OC)c(C)c2c1
InChIInChI=1S/C22H22O6/c1-5-26-17-7-9-20-18(11-17)13(2)21(28-20)22(24)27-12-16-10-15(14(3)23)6-8-19(16)25-4/h6-11H,5,12H2,1-4H3
InChIKeyOJLSVVPTUXPXGX-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.71
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

(5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 5109453) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID5109453
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccc2oc(C(=O)OCc3cc(C(C)=O)ccc3OC)c(C)c2c1
InChIInChI=1S/C22H22O6/c1-5-26-17-7-9-20-18(11-17)13(2)21(28-20)22(24)27-12-16-10-15(14(3)23)6-8-19(16)25-4/h6-11H,5,12H2,1-4H3
InChIKeyOJLSVVPTUXPXGX-UHFFFAOYSA-N
XLogP4.71
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyanophenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 4542800
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253721
(6,7-dimethyl-2-oxochromen-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186889
(5-acetyl-2-ethoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629792
(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678507
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 18229780
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55399756
(4-chlorophenyl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186927

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate (CID 5109453) is (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is CCOc1ccc2oc(C(=O)OCc3cc(C(C)=O)ccc3OC)c(C)c2c1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is OJLSVVPTUXPXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-5-26-17-7-9-20-18(11-17)13(2)21(28-20)22(24)27-12-16-10-15(14(3)23)6-8-19(16)25-4/h6-11H,5,12H2,1-4H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 382.41 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 5109453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).