methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

C20H20O4 — CID 71059183

IUPACmethyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILESCOC(=O)CC1c2ccccc2OC1OC1CCc2ccccc21
InChIInChI=1S/C20H20O4/c1-22-19(21)12-16-15-8-4-5-9-17(15)23-20(16)24-18-11-10-13-6-2-3-7-14(13)18/h2-9,16,18,20H,10-12H2,1H3
InChIKeyMNOBDOIEPJGQDE-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.76
Rot. Bonds4

About methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate

methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate (PubChem CID 71059183) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
PubChem CID71059183
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Namemethyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
SMILESCOC(=O)CC1c2ccccc2OC1OC1CCc2ccccc21
InChIInChI=1S/C20H20O4/c1-22-19(21)12-16-15-8-4-5-9-17(15)23-20(16)24-18-11-10-13-6-2-3-7-14(13)18/h2-9,16,18,20H,10-12H2,1H3
InChIKeyMNOBDOIEPJGQDE-UHFFFAOYSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate with MolForge

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Related Compounds

methyl 2-(2-trimethylsilyloxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 582013
[(1S)-2,3-dihydro-1H-inden-1-yl] 2-[4,7,10-tris[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 101249884
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
methyl 2-(5,6-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate
CID 83985359
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
methyl 2-[(2Z)-2-(hydroxymethylidene)-1,3-dihydroinden-1-yl]acetate
CID 23567246
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034765
N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034764
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
methyl 2-[(2S,3S)-2-[[9-(1,1-dioxothian-4-yl)oxy-11-methyl-6,7-dihydrobenzo[d][1]benzoxepin-2-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 137364233

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
The IUPAC name of methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate (CID 71059183) is methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
The canonical SMILES for methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate is COC(=O)CC1c2ccccc2OC1OC1CCc2ccccc21.
What is the InChIKey of methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
The InChIKey is MNOBDOIEPJGQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-22-19(21)12-16-15-8-4-5-9-17(15)23-20(16)24-18-11-10-13-6-2-3-7-14(13)18/h2-9,16,18,20H,10-12H2,1H3.
What are the key properties of methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate?
methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate has a molecular weight of 324.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,3-dihydro-1H-inden-1-yloxy)-2,3-dihydro-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 71059183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).