[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

C21H20O7 — CID 35533335

IUPAC[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H20O7/c1-13(22)14-3-6-19(20(10-14)25-2)27-12-21(24)28-11-17(23)15-4-5-18-16(9-15)7-8-26-18/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyJBVBXQGWOCPFET-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.64
Rot. Bonds8

About [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate

[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (PubChem CID 35533335) has the molecular formula C21H20O7 and a molecular weight of 384.38 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
PubChem CID35533335
Molecular FormulaC21H20O7
Molecular Weight384.38 g/mol
Exact Mass384.12
IUPAC Name[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C21H20O7/c1-13(22)14-3-6-19(20(10-14)25-2)27-12-21(24)28-11-17(23)15-4-5-18-16(9-15)7-8-26-18/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyJBVBXQGWOCPFET-UHFFFAOYSA-N
XLogP2.64
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]-3-methoxybenzonitrile
CID 17495476
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 35460918
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879877
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 35552782
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 43026289
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200505
5-chloro-2-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
CID 17497933
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)ethanone
CID 7834366
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate
CID 8737338
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 35477519

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The IUPAC name of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate (CID 35533335) is [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
The InChIKey is JBVBXQGWOCPFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O7/c1-13(22)14-3-6-19(20(10-14)25-2)27-12-21(24)28-11-17(23)15-4-5-18-16(9-15)7-8-26-18/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate?
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate has a molecular weight of 384.38 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate is sourced from PubChem (CID 35533335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).